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Structure

4-(5-Mercapto-1,3,4-thiadiazol-2-ylthiomethyl)-benzoic acid

CAS
107859-96-1
Catalog Number
ACM107859961
Category
Other Products
Molecular Weight
284.377720 [g/mol]
Molecular Formula
C10H8N2O2S3

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Specification

Synonyms
SBB059738, 107859-96-1, Benzoic acid,4-[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-, 4-[(5-sulfanyl-1,3,4-thiadiazol-2-ylthio)methyl]benzoic acid, ACMC-20mb81, SureCN9479429, AGN-PC-0009GR, CTK4A5744, AG-D-23889, KB-187317, FT-0616677, ST51044642, 4-(5-mercapto-1,3,4-thiadiazol-2-ylthiomethyl)benzoic acid, Benzoic acid, 4-[[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-
IUPAC Name
4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoic acid
Canonical SMILES
C1=CC(=CC=C1CSC2=NNC(=S)S2)C(=O)O
InChI Key
JAQNJXBQTGXTOQ-UHFFFAOYSA-N
Boiling Point
512ºC at 760 mmHg
Flash Point
263.4ºC
Density
1.57g/cm³
Exact Mass
283.97500
H-Bond Acceptor
6
H-Bond Donor
2
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