1,2,4-Thiadiazol-5-amine,3-(methylthio)-

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Names

[ CAS No. ]:
6913-13-9

[ Name ]:
1,2,4-Thiadiazol-5-amine,3-(methylthio)-

[Synonym ]:
3-Methylmercapto-5-amino-1,2,4-thiadiazol
3-Methylmercapto-5-amino-1,2,4-thiadiazole
5-Amino-3-methylthio-1,2,4-thiadiazole

Chemical & Physical Properties

[ Density]:
1.48g/cm3

[ Boiling Point ]:
318.1ºC at 760 mmHg

[ Melting Point ]:
140-144ºC

[ Molecular Formula ]:
C3H5N3S2

[ Molecular Weight ]:
147.22200

[ Flash Point ]:
146.2ºC

[ Exact Mass ]:
146.99200

[ PSA ]:
105.34000

[ LogP ]:
1.42340

[ Index of Refraction ]:
1.662

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI3530000
CHEMICAL NAME :
1,2,4-Thiadiazole, 5-amino-3-(methylthio)-
CAS REGISTRY NUMBER :
6913-13-9
BEILSTEIN REFERENCE NO. :
0113672
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H5-N3-S2
MOLECULAR WEIGHT :
147.23
WISWESSER LINE NOTATION :
T5NS DNJ CZ ES1

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 :
375 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,484,1977

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Sodium thiocyanate
  • S-Methylisothiourea sulfate
  • 3-[(5-amino-1,2,4-thiadiazol-3-yl)disulfanyl]-1,2,4-thiadiazol-5-amine
  • methyl iodide
  • 2-methyl-2-thiopseudourea sulfate
  • METHYL THIOPSEUDOUREA SULFATE
  • Potassium thiocyanate

DownStream

  • 3-methylsulfonyl-1,2,4-thiadiazol-5-amine

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-morpholino-1,2,4-thiadiazol-5-amine
  • 3-ethylsulfanyl-1,2,4-thiadiazol-5-amine
  • 3-methylsulfonyl-1,2,4-thiadiazol-5-amine
  • 3-Methoxy-1,2,4-Thiadiazol-5-Amine
  • 3-(Trichloromethyl)1,2,4-thiadiazol-5-amine
  • 3-(tert-butylsulfanyl)-1,2,4-thiadiazol-5-amine