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16141-34-7 | 2-Butenethioamide, N-(4-methylphenyl)-3-(phenylamino)-
CAS No: 16141-34-7 Catalog No: AG001SGU MDL No:
Product Description
Catalog Number:
AG001SGU
Chemical Name:
2-Butenethioamide, N-(4-methylphenyl)-3-(phenylamino)-
CAS Number:
16141-34-7
Molecular Formula:
C17H18N2S
Molecular Weight:
282.4032
IUPAC Name:
3-anilino-N-(4-methylphenyl)but-2-enethioamide
InChI:
InChI=1S/C17H18N2S/c1-13-8-10-16(11-9-13)19-17(20)12-14(2)18-15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,19,20)
InChI Key:
UQOJYMWOQIQRKS-UHFFFAOYSA-N
SMILES:
CC(=CC(=S)Nc1ccc(cc1)C)Nc1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.405g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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