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Home > Pyridines > 140869-14-3
140869-14-3 | Benzenecarbothioamide, N-(4,6-dimethyl-2-pyridinyl)-
CAS No: 140869-14-3 Catalog No: AG001CXY MDL No:
Product Description
Catalog Number:
AG001CXY
Chemical Name:
Benzenecarbothioamide, N-(4,6-dimethyl-2-pyridinyl)-
CAS Number:
140869-14-3
Molecular Formula:
C14H14N2S
Molecular Weight:
242.3394
IUPAC Name:
N-(4,6-dimethylpyridin-2-yl)benzenecarbothioamide
InChI:
InChI=1S/C14H14N2S/c1-10-8-11(2)15-13(9-10)16-14(17)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,15,16,17)
InChI Key:
FIYCBXSLDADMCR-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(c1)C)NC(=S)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.34g/mol
Monoisotopic Mass:
242.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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