5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Modify Date: 2025-09-26 15:21:06

5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione Structure
5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione structure
Common Name 5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS Number 7271-49-0 Molecular Weight 199.31600
Density 1.16g/cm3 Boiling Point 264.7ºC at 760 mmHg
Molecular Formula C9H17N3S Melting Point N/A
MSDS N/A Flash Point 113.9ºC

 Names

Name 5-heptyl-1,2-dihydro-1,2,4-triazole-3-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.16g/cm3
Boiling Point 264.7ºC at 760 mmHg
Molecular Formula C9H17N3S
Molecular Weight 199.31600
Flash Point 113.9ºC
Exact Mass 199.11400
PSA 80.37000
LogP 2.60630
Index of Refraction 1.591
InChIKey XTWRQARBVPMUPP-UHFFFAOYSA-N
SMILES CCCCCCCc1nc(=S)[nH][nH]1

 Synonyms

5-Heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2,4-Dihydro-5-heptyl-3H-1,2,4-triazole-3-thione
3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-heptyl
EINECS 230-690-0
3H-1,2,4-Triazole-3-thione,5-heptyl-2,4-dihydro
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