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Structure

4-Pentyl-4H-1,2,4-triazole-3-thiol

CAS
27106-02-1
Catalog Number
ACM27106021
Category
Other Products
Molecular Weight
171.263220 [g/mol]
Molecular Formula
C7H13N3S
MSDS COA Spec Sheet

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Specification

Synonyms
MolPort-002-467-398, ZINC04200419, HMS1788F21, CID3863752, EN300-10831, 27106-02-1
IUPAC Name
4-pentyl-1H-1,2,4-triazole-5-thione
Canonical SMILES
CCCCCN1C=NNC1=S
InChI Key
JMMLVKXMPSIQGW-UHFFFAOYSA-N
Boiling Point
221ºC at 760mmHg
Flash Point
87.5ºC
Density
1.18g/cm³
Exact Mass
171.08300
H-Bond Acceptor
1
H-Bond Donor
1
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