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Home > Imidazoles > 82358-15-4
82358-15-4 | 1H-Imidazole-2-thiol
CAS No: 82358-15-4 Catalog No: AG004YMP MDL No:MFCD00005188
Product Description
Catalog Number:
AG004YMP
Chemical Name:
1H-Imidazole-2-thiol
CAS Number:
82358-15-4
Molecular Formula:
C3H4N2S
Molecular Weight:
100.1423
MDL Number:
MFCD00005188
IUPAC Name:
1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChI Key:
OXFSTTJBVAAALW-UHFFFAOYSA-N
SMILES:
Sc1ncc[nH]1
EC Number:
212-823-4
UNII:
FD37BLD6L2
NSC Number:
112715
Properties
Complexity:
87
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.01g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
100.139g/mol
Monoisotopic Mass:
100.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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