Anethole trithione

Names

[ CAS No. ]:
532-11-6

[ Name ]:
Anethole trithione

[Synonym ]:
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)

Biological Activity

[Description]:

Anethole trithione is a drug used in the treatment of dry mouth， being studied in the treatment of cancer.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Cancer

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
398.1±52.0 °C at 760 mmHg

[ Melting Point ]:
23 C

[ Molecular Formula ]:
C₁₀H₈OS₃

[ Molecular Weight ]:
240.365

[ Flash Point ]:
194.6±30.7 °C

[ Exact Mass ]:
239.973724

[ PSA ]:
105.50000

[ LogP ]:
3.39

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.732

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 Codes ]:
Xi

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%