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4H-1,2,4-triazole-3-thiol, 4-(2-chlorophenyl)-5-(1-methylethyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-1,2,4-triazole-3-thiol, 4-(2-chlorophenyl)-5-(1-methylethyl)-
SpectraBase Compound ID 3sbXRb579fS
InChI InChI=1S/C11H12ClN3S/c1-7(2)10-13-14-11(16)15(10)9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,14,16)
InChIKey AIHZWCWYVGFVRR-UHFFFAOYSA-N
Mol Weight 253.75 g/mol
Molecular Formula C11H12ClN3S
Exact Mass 253.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4n33KVeXsI8
Name 4-(2-Chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN3S
InChI InChI=1S/C11H12ClN3S/c1-7(2)10-13-14-11(16)15(10)9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,14,16)
InChIKey AIHZWCWYVGFVRR-UHFFFAOYSA-N
Molecular Weight 253.751 g/mol
SMILES Sc1[n](c(nn1)C(C)C)-c1ccccc1Cl
SPLASH splash10-014m-9540000000-e29eac1806083f3cb162
Source of Spectrum IY-2-4946-8
Synonyms 4H-1,2,4-Triazole-3-thiol, 4-(2-chlorophenyl)-5-(1-methylethyl)- 4-(2-Chlorophenyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1657451