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885281-13-0 | 1-Methyl-1H-imidazole-2-carbothioamide
CAS No: 885281-13-0 Catalog No: AG0045Q7 MDL No:MFCD05662456
Product Description
Catalog Number:
AG0045Q7
Chemical Name:
1-Methyl-1H-imidazole-2-carbothioamide
CAS Number:
885281-13-0
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD05662456
IUPAC Name:
1-methylimidazole-2-carbothioamide
InChI:
InChI=1S/C5H7N3S/c1-8-3-2-7-5(8)4(6)9/h2-3H,1H3,(H2,6,9)
InChI Key:
NHPINUWBFXVBKO-UHFFFAOYSA-N
SMILES:
NC(=S)c1nccn1C
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:
1
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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