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3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione structure

CAS No:
797767-73-8
Formula:
C12H21N3S
Chemical Name:
3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Synonyms:
ZINC2371338;STK601556;AKOS005226388;MCULE-1402093511;5-heptyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;797767-73-8

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3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

239.38 g/mol

Exact Mass：

239.14561886 g/mol

Characteristics

PSA：

59.7 Å²

Computed Properties

Molecular Weight:239.38
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:239.14561886
Monoisotopic Mass:239.14561886
Topological Polar Surface Area:59.7
Heavy Atom Count:16
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-heptyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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