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50288-75-0 | 2-(1-benzyl-1H-imidazol-2-yl)ethanethioamide
CAS No: 50288-75-0 Catalog No: AG019W4Q MDL No:MFCD12912863
Product Description
Catalog Number:
AG019W4Q
Chemical Name:
2-(1-benzyl-1H-imidazol-2-yl)ethanethioamide
CAS Number:
50288-75-0
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD12912863
IUPAC Name:
2-(1-benzylimidazol-2-yl)ethanethioamide
InChI:
InChI=1S/C12H13N3S/c13-11(16)8-12-14-6-7-15(12)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16)
InChI Key:
ODXASKUUWFZWQI-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1nccn1Cc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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