(S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate

Modify Date: 2025-08-23 12:05:23

(S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate Structure
(S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate structure
Common Name (S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate
CAS Number 51988-14-8 Molecular Weight 254.35200
Density 1.54g/cm3 Boiling Point 393.3ºC at 760mmHg
Molecular Formula C9H6N2OS3 Melting Point N/A
MSDS N/A Flash Point 191.7ºC

 Names

Name S-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl) benzenecarbothioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.54g/cm3
Boiling Point 393.3ºC at 760mmHg
Molecular Formula C9H6N2OS3
Molecular Weight 254.35200
Flash Point 191.7ºC
Exact Mass 253.96400
PSA 135.19000
LogP 2.75930
Index of Refraction 1.774
InChIKey KIFSWJVHFMQPOS-UHFFFAOYSA-N
SMILES O=C(Sc1n[nH]c(=S)s1)c1ccccc1

 Safety Information

HS Code 2934999090

 Synthetic Route

~%

(S)-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate Structure

(S)-(4,5-Dihydr...

CAS#:51988-14-8

Literature: Busch Chemische Berichte, 1894 , vol. 27, p. 2518

 Precursor & DownStream

Precursor  1

DownStream  0

 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-Mercapto-1,3,4-thiadiazole-2-thiol benzoate
EINECS 257-581-0
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