4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
structure -
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CAS No:
262610-50-4
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Formula:
C8H9N3S2
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Chemical Name:
4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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Synonyms:
BUTTPARK 41\07-08;4-Methyl-3-[(thien-3-yl)methyl]-5-thio-4H-1,2,4-triazole;4-Methyl-5-[(thien-3-yl)methyl]-4H-1,2,4-triazole-3-thiol, 3-[(4-Methyl-5-sulphanyl-4H-1,2,4-triazol-3-yl)methyl]thiophene;4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL;4-methyl-3-(3-thiophenylmethyl)-1H-1,2,4-triazole-5-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(3-thienylmethyl)-
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CAS No:
4-METHYL-5-(3-THIENYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes
211.31
211.02378965
DTXSID00372052
2934999090
Characteristics
97.75000
1.75610
1.43±0.1 g/cm3
130 °C
307.7±44.0 °C(Predicted)
139.9ºC
1.741
0.000715mmHg at 25°C
9.48±0.20
Computed Properties
Molecular Weight:211.3
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.02378965
Monoisotopic Mass:211.02378965
Topological Polar Surface Area:88
Heavy Atom Count:13
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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