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3179-31-5 | 1H-1,2,4-Triazole-3-thiol
CAS No: 3179-31-5 Catalog No: AG0032RM MDL No:MFCD00005229
Product Description
Catalog Number:
AG0032RM
Chemical Name:
1H-1,2,4-Triazole-3-thiol
CAS Number:
3179-31-5
Molecular Formula:
C2H3N3S
Molecular Weight:
101.1303
MDL Number:
MFCD00005229
IUPAC Name:
1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChI Key:
AFBBKYQYNPNMAT-UHFFFAOYSA-N
SMILES:
Sc1n[nH]cn1
EC Number:
221-656-6
UNII:
RUS62L885R
NSC Number:
97089
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.005g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
101.127g/mol
Monoisotopic Mass:
101.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
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