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Structure

[(4-Phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

CAS
3682-28-8
Catalog Number
ACM3682288
Category
Other Products
Molecular Weight
235.26
Molecular Formula
C10H9N3O2S

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Specification

Synonyms
[(4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, [(4-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 3682-28-8, (4-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, BAS 00670849, AC1LEP7R, ChemDiv1_008717, AC1Q5WV1, AC1Q76DJ, CBDivE_003342, SCHEMBL8172290, STOCK1S-61372, CTK7J5856, HMS611M05, HBNMWSBTNLONCN-UHFFFAOYSA-N, MolPort-000-162-318, KST-1A4309, AR-1A8394, STL300402
IUPAC Name
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Canonical SMILES
C1=CC=C(C=C1)N2C=NN=C2SCC(=O)O
InChI Key
HBNMWSBTNLONCN-UHFFFAOYSA-N
Boiling Point
485.9ºC at 760mmHg
Flash Point
247.7ºC
Density
1.41g/cm³
Exact Mass
235.04200
H-Bond Acceptor
5
H-Bond Donor
1
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