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82127-11-5 | 4-phenyl-2-sulfanyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
CAS No: 82127-11-5 Catalog No: AG01C1WU MDL No:MFCD13813393
Product Description
Catalog Number:
AG01C1WU
Chemical Name:
4-phenyl-2-sulfanyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
CAS Number:
82127-11-5
Molecular Formula:
C16H10N2S2
Molecular Weight:
294.3940
MDL Number:
MFCD13813393
IUPAC Name:
4-phenyl-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C16H10N2S2/c17-10-13-12(11-5-2-1-3-6-11)9-14(18-16(13)19)15-7-4-8-20-15/h1-9H,(H,18,19)
InChI Key:
HOLLKUBCDKJLHL-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc(cc1c1ccccc1)c1cccs1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.39g/mol
Monoisotopic Mass:
294.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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