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Home > Imidazoles > 95234-91-6
95234-91-6 | Benzamide, N-butyl-4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-
CAS No: 95234-91-6 Catalog No: AG006OJ8 MDL No:
Product Description
Catalog Number:
AG006OJ8
Chemical Name:
Benzamide, N-butyl-4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-
CAS Number:
95234-91-6
Molecular Formula:
C14H17N3OS
Molecular Weight:
275.3693
IUPAC Name:
N-butyl-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C14H17N3OS/c1-2-3-8-15-13(18)11-4-6-12(7-5-11)17-10-9-16-14(17)19/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)(H,16,19)
InChI Key:
JSKBGVVFMKZISD-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(cc1)n1cc[nH]c1=S
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.37g/mol
Monoisotopic Mass:
275.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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