CAS 2001-93-6|2,4-dithiouracil

Introduction：Basic information about CAS 2001-93-6|2,4-dithiouracil, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles7
7. Synonyms

Common Name	2,4-dithiouracil
CAS Number	2001-93-6	Molecular Weight	144.218
Density	1.5±0.1 g/cm3	Boiling Point	225.6±23.0 °C at 760 mmHg
Molecular Formula	C₄H₄N₂S₂	Melting Point	279-281 °C (dec.)(lit.)
MSDS	ChineseUSA	Flash Point	90.3±22.6 °C

Names

Name	dithiouracil
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	225.6±23.0 °C at 760 mmHg
Melting Point	279-281 °C (dec.)(lit.)
Molecular Formula	C₄H₄N₂S₂
Molecular Weight	144.218
Flash Point	90.3±22.6 °C
Exact Mass	143.981583
PSA	95.76000
LogP	0.30
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.776
InChIKey	ZEQIWKHCJWRNTH-UHFFFAOYSA-N
SMILES	S=c1cc[nH]c(=S)[nH]1
Storage condition	Store Cold

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR0175000

CHEMICAL NAME :: Uracil, 2,4-dithio-

CAS REGISTRY NUMBER :: 2001-93-6

LAST UPDATED :: 199504

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H4-N2-S2

MOLECULAR WEIGHT :: 144.22

WISWESSER LINE NOTATION :: T6MYMYJ BUS DUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1634 No. of Facilities: 201 (estimated) No. of Industries: 5 No. of Occupations: 7 No. of Employees: 743 (estimated) No. of Female Employees: 260 (estimated)

Safety Information

Hazard Codes	Xi: Irritant;
Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	YR0175000
HS Code	2933599090

Customs

HS Code	2933599090
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles7

Photoelectron spectroscopic study of the negative ions of 4-thiouracil and 2,4-dithiouracil.

J. Chem. Phys. 134(7) , 074304, (2011)

We report the photoelectron spectra of the negative ions of 4-thiouracil (4-TU)(-) and 2,4-dithiouracil (2,4-DTU)(-). Both of these spectra are indicative of valence anions, and they are each dominate...

Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions.

J. Chem. Phys. 134(7) , 074305, (2011)

Electron affinities, vertical electron detachment energies, and isomerization energies of 4-thiouracil, 2-thiouracil, and 2,4-dithiouracil and their valence anions have been calculated with ab initio ...

Photochemistry and electrochemistry of anticancer uracils.

J. Photochem. Photobiol. B, Biol. 117 , 269-77, (2012)

The redox mechanism and electronic absorption behavior of a commercial anticancer drug, 5-fluorouracil (5-FU) and two potential anticancer drugs, 2-thiouracil (2-TU) and dithiouracil (DTU) have been i...

Synonyms

2,4-dithio-uraci

pyrimidine-2,4-dithione

Pyrimidine-2,4(1H,3H)-dithione

2,4-pyrimidinedithiol

Uracil,2,4-dithio

2,4-dithiouracil

2,4-Dithiopyrimidine

EINECS 217-894-5

pyrimidine-2,4-dithiol

Dithiopyrimidine

MFCD00006042

usafcb-14

4-sulfanyl-2(3H)-pyrimidinethione

Dithiouracil

2,4(1H,3H)-Pyrimidinedithione

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