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Home > Imidazoles > 1193388-03-2
1193388-03-2 | 3-(2-sulfanyl-1H-imidazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CAS No: 1193388-03-2 Catalog No: AG019UUJ MDL No:MFCD12197006
Product Description
Catalog Number:
AG019UUJ
Chemical Name:
3-(2-sulfanyl-1H-imidazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CAS Number:
1193388-03-2
Molecular Formula:
C15H13N3OS2
Molecular Weight:
315.4132
MDL Number:
MFCD12197006
IUPAC Name:
3-(2-sulfanylidene-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide
InChI:
InChI=1S/C15H13N3OS2/c19-14(17-10-13-5-2-8-21-13)11-3-1-4-12(9-11)18-7-6-16-15(18)20/h1-9H,10H2,(H,16,20)(H,17,19)
InChI Key:
AAXQDVLYGQKRTG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)n1ccnc1S)NCc1cccs1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.409g/mol
Monoisotopic Mass:
315.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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