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129486-91-5 | 1H-Imidazole-5-carbothioamide, 2-methyl-
CAS No: 129486-91-5 Catalog No: AG000Z6H MDL No:MFCD03659724
Product Description
Catalog Number:
AG000Z6H
Chemical Name:
1H-Imidazole-5-carbothioamide, 2-methyl-
CAS Number:
129486-91-5
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD03659724
IUPAC Name:
2-methyl-1H-imidazole-5-carbothioamide
InChI:
InChI=1S/C5H7N3S/c1-3-7-2-4(8-3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChI Key:
MNYPQSNAWPZXRV-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)C(=S)N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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