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438554-23-5 | 1H-IMIDAZOLE-2-CARBOTHIOIC ACID AMIDE
CAS No: 438554-23-5 Catalog No: AG00D8E8 MDL No:MFCD05662469
Product Description
Catalog Number:
AG00D8E8
Chemical Name:
1H-IMIDAZOLE-2-CARBOTHIOIC ACID AMIDE
CAS Number:
438554-23-5
Molecular Formula:
C4H5N3S
Molecular Weight:
127.1676
MDL Number:
MFCD05662469
IUPAC Name:
1H-imidazole-2-carbothioamide
InChI:
InChI=1S/C4H5N3S/c5-3(8)4-6-1-2-7-4/h1-2H,(H2,5,8)(H,6,7)
InChI Key:
JYLLSRXJCBEPFX-UHFFFAOYSA-N
SMILES:
NC(=S)c1ncc[nH]1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.02g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.165g/mol
Monoisotopic Mass:
127.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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