2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE

Modify Date: 2025-08-21 19:25:59

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure
2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE structure
 Common Name 2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE
CAS Number 25660-71-3 Molecular Weight 223.318
Density 1.4±0.1 g/cm3 Boiling Point 416.2±38.0 °C at 760 mmHg
Molecular Formula C9H9N3S2 Melting Point 159 °C
MSDS N/A Flash Point 205.5±26.8 °C

 Names

Name 5-benzylsulfanyl-1,3,4-thiadiazol-2-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 416.2±38.0 °C at 760 mmHg
Melting Point 159 °C
Molecular Formula C9H9N3S2
Molecular Weight 223.318
Flash Point 205.5±26.8 °C
Exact Mass 223.023788
PSA 105.34000
LogP 2.65
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.694
InChIKey BHIGBGKIAJJBGD-UHFFFAOYSA-N
SMILES Nc1nnc(SCc2ccccc2)s1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI2898500
CHEMICAL NAME :
1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-
CAS REGISTRY NUMBER :
25660-71-3
LAST UPDATED :
199606
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3-S2
MOLECULAR WEIGHT :
223.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5401853
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5401853

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 36/37/39
HS Code 2934999090

 Synthetic Route

Benzyl bromide structure

Benzyl bromide

CAS#:100-39-0

5-Amino-1,3,4-thiadiazole-2-thiol structure

5-Amino-1,3,4-t...

CAS#:2349-67-9

~91%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Gao, Yaojun; Samanta, Sanjay; Cui, Taian; Lam, Yulin ChemMedChem, 2013 , vol. 8, # 9 p. 1554 - 1560
Benzyl chloride structure

Benzyl chloride

CAS#:100-44-7

5-Amino-1,3,4-thiadiazole-2-thiol structure

5-Amino-1,3,4-t...

CAS#:2349-67-9

~80%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Clerici; Pocar; Guido; Loche; Perlini; Brufani Journal of Medicinal Chemistry, 2001 , vol. 44, # 6 p. 931 - 936
5-Amino-1,3,4-thiadiazole-2-thiol structure

5-Amino-1,3,4-t...

CAS#:2349-67-9

~%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 20 p. 4488 - 4492
benzyl thiocyanate structure

benzyl thiocyanate

CAS#:3012-37-1

Thiosemicarbazide structure

Thiosemicarbazide

CAS#:79-19-6

~88%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Shukurov, S. Sh; Kukaniev, M. A. Russian Journal of Organic Chemistry, 1993 , vol. 29, # 11.2 p. 1941 Zhurnal Organicheskoi Khimii, 1993 , vol. 29, # 11 p. 2327 - 2328
Benzyl chloride structure

Benzyl chloride

CAS#:100-44-7

~%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Chemische Berichte, , vol. 54, p. 2110
3-thiocarbamoyl-thiocarbazic acid benzyl ester structure

3-thiocarbamoyl...

CAS#:861564-19-4

~%

2-AMINO-5-BENZYLTHIO-1,3,4-THIADIAZOLE Structure

2-AMINO-5-BENZY...

CAS#:25660-71-3

Literature: Chemische Berichte, , vol. 54, p. 2110

 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%

 Synonyms

5-Amino-2-benzylthio-1,3,4-thiadiazole
1,3,4-Thiadiazol-2-amine, 5-[(phenylmethyl)thio]-
2-benzylthio-5-amino-1,3,4-thiadiazole
5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-amine
T5NN DSJ CZ ES1R
5-benzylmercapto-[1,3,4]thiadiazol-2-ylamine
2-Amino-5-benzylmercapto-1,3,4-thiadiazole
MFCD00184237
5-benzylsulfanyl[1,3,4]thiadiazol-2-ylamine
2-amino-5-benzylthio-1,3,4-thiadiazole
5-(Benzylthio)-1,3,4-thiadiazol-2-amine
5-amino-2-(benzylthio)-1,3,4-thiadiazole
5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine
2-Amino-5-(benzylthio)-1,3,4-thiadiazole
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