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Home > Pyridines > 126939-95-5
126939-95-5 | 3-Pyridinecarbothioamide, 1,4-dihydro-1-(phenylmethyl)-
CAS No: 126939-95-5 Catalog No: AG000WFL MDL No:
Product Description
Catalog Number:
AG000WFL
Chemical Name:
3-Pyridinecarbothioamide, 1,4-dihydro-1-(phenylmethyl)-
CAS Number:
126939-95-5
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
IUPAC Name:
1-benzyl-4H-pyridine-3-carbothioamide
InChI:
InChI=1S/C13H14N2S/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16)
InChI Key:
DTRITDFGJLLTNS-UHFFFAOYSA-N
SMILES:
NC(=S)C1=CN(C=CC1)Cc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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