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90871-42-4 | 4-isopropyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol
CAS No: 90871-42-4 Catalog No: AG00GTS0 MDL No:MFCD08691557
Product Description
Catalog Number:
AG00GTS0
Chemical Name:
4-isopropyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol
CAS Number:
90871-42-4
Molecular Formula:
C10H12N4S
Molecular Weight:
220.2941
MDL Number:
MFCD08691557
IUPAC Name:
4-propan-2-yl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H12N4S/c1-7(2)14-9(12-13-10(14)15)8-4-3-5-11-6-8/h3-7H,1-2H3,(H,13,15)
InChI Key:
LHGOGSSATFKPDL-UHFFFAOYSA-N
SMILES:
CC(n1c(S)nnc1c1cccnc1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.294g/mol
Monoisotopic Mass:
220.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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