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Structure

5-{[(7-Chloro-4-quinolinyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol

CAS
845885-91-8
Catalog Number
ACM845885918
Category
Other Products
Molecular Weight
322.84
Molecular Formula
C13H11ClN4S2

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Specification

Synonyms
5-{[(7-chloro-4-quinolinyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol, AC1MDRZ9, MolPort-009-014-339, MO07335, KB-196505, 3-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione, 845885-91-8
IUPAC Name
3-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Canonical SMILES
CN1C(=NNC1=S)CSC2=C3C=CC(=CC3=NC=C2)Cl
InChI Key
CMIUIVMFUDYLGS-UHFFFAOYSA-N
Boiling Point
462.8ºC at 760 mmHg
Flash Point
233.7ºC
Density
1.51g/cm³
Exact Mass
322.01100
H-Bond Acceptor
4
H-Bond Donor
1
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