CAS 532-11-6|Anethole trithione

Introduction:Basic information about CAS 532-11-6|Anethole trithione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAnethole trithione
CAS Number532-11-6Molecular Weight240.365
Density1.4±0.1 g/cm3Boiling Point398.1±52.0 °C at 760 mmHg
Molecular FormulaC10H8OS3Melting Point23 C
MSDS/Flash Point194.6±30.7 °C

Names

Name5-(4-methoxyphenyl)dithiole-3-thione
SynonymMore Synonyms

Anethole trithione BiologicalActivity

DescriptionAnethole trithione is a drug used in the treatment of dry mouth, being studied in the treatment of cancer.
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Cancer

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point398.1±52.0 °C at 760 mmHg
Melting Point23 C
Molecular FormulaC10H8OS3
Molecular Weight240.365
Flash Point194.6±30.7 °C
Exact Mass239.973724
PSA105.50000
LogP3.39
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.732
InChIKeyKYLIZBIRMBGUOP-UHFFFAOYSA-N
SMILESCOc1ccc(-c2cc(=S)ss2)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1292500
CHEMICAL NAME :
3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-
CAS REGISTRY NUMBER :
532-11-6
BEILSTEIN REFERENCE NO. :
0158393
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H8-O-S3
MOLECULAR WEIGHT :
240.36
WISWESSER LINE NOTATION :
T5SSYTJ CUS ER DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,244,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,38,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,25,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,25,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8640 mg/kg/24W-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in adrenal weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 12,79,1976

Safety Information

Hazard CodesXi
HS Code2930909090

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

Anethole trithione
Halpen
(p-Methoxyphenyl)trithiopropene
EINECS 208-528-5
5-(p-Methoxyphenyl)-1,2-dithiacyclopent-4-ene-3-thione
Anetholetrithion
3-(p-Methoxyphenyl)-4,5-dithiacyclopent-2-ene-1-thione
Tiotrifar
3-(p-Anisyl)trithione
MFCD00129751
Sulfarlem
3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-
Trithio
Trithio-p-methoxyphenylpropene
Mucinol
Heporal
3-(p-Anisyl)-4,5-dithiacyclopent-2-ene-1-thione
Tiopropen
5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione
Sufralem
anetholtrithion
Felviten
Anethole (trithione)
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