CAS 109-57-9|allylthiourea

Introduction：Basic information about CAS 109-57-9|allylthiourea, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. allylthiourea BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles28
8. Synonyms

Common Name	allylthiourea
CAS Number	109-57-9	Molecular Weight	116.185
Density	1.1±0.1 g/cm3	Boiling Point	191.3±33.0 °C at 760 mmHg
Molecular Formula	C₄H₈N₂S	Melting Point	70-72 °C(lit.)
MSDS	USA	Flash Point	69.5±25.4 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	Allylthiourea
Synonym	More Synonyms

allylthiourea BiologicalActivity

Description	Allylthiourea is a metabolic inhibitor that selective inhibits ammonia oxidation.Target: OthersAllylthiourea selectively inhibits ammonia oxidation at concentrations 8-80 μM. Allylthiourea (1 μM)inhibits ammonia oxidation by 80%. Complete inhibition is observed at an Allylthiourea concentration of 86 μM [1]. The inhibition of Allylthiourea on ammonia oxidation probably acts through chelating the copper of the ammonia monooxygenase active site. Allylthiourea is able to produce soluble methane monooxygenase (sMMO) in the presence of copper. Addition of 25 μM Allylthiourea decreases intracellular copper by 48% in Methylosinus trichosporium OB3b, allowing sMMO production at Cu/biomass ratios normally not permitting sMMO synthesis, which achieves a plateau of 320 μmol naphthol formed per gram dry biomass per hour [2].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
References	[1]. Ginestet, P., et al., Estimation of nitrifying bacterial activities by measuring oxygen uptake in the presence of the metabolic inhibitors allylthiourea and azide. Appl Environ Microbiol, 1998. 64(6): p. 2266-8. [2]. Yu, Y., J.A. Ramsay, and B.A. Ramsay, Use of allylthiourea to produce soluble methane monooxygenase in the presence of copper. Appl Microbiol Biotechnol, 2009. 82(2): p. 333-9.

Description

Allylthiourea is a metabolic inhibitor that selective inhibits ammonia oxidation.Target: OthersAllylthiourea selectively inhibits ammonia oxidation at concentrations 8-80 μM. Allylthiourea (1 μM)inhibits ammonia oxidation by 80%. Complete inhibition is observed at an Allylthiourea concentration of 86 μM [1]. The inhibition of Allylthiourea on ammonia oxidation probably acts through chelating the copper of the ammonia monooxygenase active site. Allylthiourea is able to produce soluble methane monooxygenase (sMMO) in the presence of copper. Addition of 25 μM Allylthiourea decreases intracellular copper by 48% in Methylosinus trichosporium OB3b, allowing sMMO production at Cu/biomass ratios normally not permitting sMMO synthesis, which achieves a plateau of 320 μmol naphthol formed per gram dry biomass per hour [2].

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease

References

[1]. Ginestet, P., et al., Estimation of nitrifying bacterial activities by measuring oxygen uptake in the presence of the metabolic inhibitors allylthiourea and azide. Appl Environ Microbiol, 1998. 64(6): p. 2266-8.

[2]. Yu, Y., J.A. Ramsay, and B.A. Ramsay, Use of allylthiourea to produce soluble methane monooxygenase in the presence of copper. Appl Microbiol Biotechnol, 2009. 82(2): p. 333-9.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	191.3±33.0 °C at 760 mmHg
Melting Point	70-72 °C(lit.)
Molecular Formula	C₄H₈N₂S
Molecular Weight	116.185
Flash Point	69.5±25.4 °C
Exact Mass	116.040817
PSA	70.14000
LogP	0.12
Vapour Pressure	0.5±0.4 mmHg at 25°C
Index of Refraction	1.562
InChIKey	HTKFORQRBXIQHD-UHFFFAOYSA-N
SMILES	C=CCNC(N)=S
Stability	Stable. Incompatible with strong oxidizing agents.
Water Solubility	67 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR8050000

CHEMICAL NAME :: Urea, 1-allyl-2-thio-

CAS REGISTRY NUMBER :: 109-57-9

BEILSTEIN REFERENCE NO. :: 1071470

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C4-H8-N2-S

MOLECULAR WEIGHT :: 116.20

WISWESSER LINE NOTATION :: SUYZM2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Endocrine - hyperglycemia

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1858 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 150 ug/plate

REFERENCE :: ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83304 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 30 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83304 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 5526 (estimated) No. of Female Employees: 5182 (estimated)

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	S45-S24/25
RIDADR	UN 2811 6.1/PG 3
WGK Germany	2
RTECS	YR8050000
Packaging Group	III
Hazard Class	6.1
HS Code	29309070

Customs

HS Code	29309070

Articles28

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Environ. Sci. Technol. 49 , 10449-56, (2015)

Carbamazepine (CBZ) is a worldwide used antiepileptic drug, which is metabolized to a large extent in the human body to several metabolites, including 10,11-dihydroxy-10,11-dihydrocarbamazepine (DiOHC...

Construction of a highly bioluminescent Nitrosomonas as a probe for nitrification conditions.

Arch. Microbiol. 172(1) , 45-50, (1999)

Cloned luciferase-encoding operons were transferred by conjugation to a natural isolate of the ammonia-oxidizing bacterial strain Nitrosomonas sp. RST41-3, thereby establishing conjugation as a tool f...

The effect of thiosulphate and other inhibitors of autotrophic nitrification on heterotrophic nitrifiers.

Antonie van Leeuwenhoek 56(4) , 301-9, (1989)

It has been found that heterotrophic nitrification by Thiosphaera pantotropha can be inhibited by thiosulphate in batch and chemostat cultures. Allythiourea and nitrapyrin, both classically considered...

Synonyms

1-Prop-2-en-1-ylthioharnstoff

prop-2-enylthiourea

Allyl thiourea

Thiosinamine

1-Allyl-2-thiourea

EINECS 203-683-5

thiourea, N-2-propenyl-

1-Allylthiourea

Thiourea, N-2-propen-1-yl-

MFCD00004940

allylthiourea

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