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Structure

2-(3-Methyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)acetic acid

CAS
42047-33-6
Catalog Number
ACM42047336
Category
Other Products
Molecular Weight
173.19
Molecular Formula
C5H7N3O2S

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Specification

Synonyms
2-(3-METHYL-5-THIOXO-1H-1,2,4-TRIAZOL-4(5H)-YL)ACETIC ACID
IUPAC Name
2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
Canonical SMILES
CC1=NNC(=S)N1CC(=O)O
InChI Key
QSHGLOUULYCYOW-UHFFFAOYSA-N
Boiling Point
304.8ºC at 760 mmHg
Flash Point
138.2ºC
Density
1.61g/cm³
Exact Mass
173.02600
H-Bond Acceptor
4
H-Bond Donor
2
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