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116171-03-0 | 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-
CAS No: 116171-03-0 Catalog No: AG000BST MDL No:MFCD01860247
Product Description
Catalog Number:
AG000BST
Chemical Name:
3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-
CAS Number:
116171-03-0
Molecular Formula:
C13H10N2OS2
Molecular Weight:
274.3613
MDL Number:
MFCD01860247
IUPAC Name:
4-amino-5-benzoyl-2-methylsulfanylthiophene-3-carbonitrile
InChI:
InChI=1S/C13H10N2OS2/c1-17-13-9(7-14)10(15)12(18-13)11(16)8-5-3-2-4-6-8/h2-6H,15H2,1H3
InChI Key:
JZBHTUZPSRFSMV-UHFFFAOYSA-N
SMILES:
CSc1sc(c(c1C#N)N)C(=O)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.356g/mol
Monoisotopic Mass:
274.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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