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Home > Imidazoles > 54029-12-8
54029-12-8 | Carbamic acid, [5-(propylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester
CAS No: 54029-12-8 Catalog No: AG00I9N8 MDL No:MFCD00797922
Product Description
Catalog Number:
AG00I9N8
Chemical Name:
Carbamic acid, [5-(propylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester
CAS Number:
54029-12-8
Molecular Formula:
C12H15N3O3S
Molecular Weight:
281.3308
MDL Number:
MFCD00797922
IUPAC Name:
methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChI Key:
VXTGHWHFYNYFFV-UHFFFAOYSA-N
SMILES:
CCCS(=O)c1ccc2c(c1)[nH]c(n2)NC(=O)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.33g/mol
Monoisotopic Mass:
281.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
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