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1157-73-9 | 1-Cyclopentene-1-carbothioamide, N-phenyl-2-(phenylamino)-
CAS No: 1157-73-9 Catalog No: AG000GS6 MDL No:
Product Description
Catalog Number:
AG000GS6
Chemical Name:
1-Cyclopentene-1-carbothioamide, N-phenyl-2-(phenylamino)-
CAS Number:
1157-73-9
Molecular Formula:
C18H18N2S
Molecular Weight:
294.4139
IUPAC Name:
2-anilino-N-phenylcyclopentene-1-carbothioamide
InChI:
InChI=1S/C18H18N2S/c21-18(20-15-10-5-2-6-11-15)16-12-7-13-17(16)19-14-8-3-1-4-9-14/h1-6,8-11,19H,7,12-13H2,(H,20,21)
InChI Key:
ZTHQEYOOUFONLG-UHFFFAOYSA-N
SMILES:
S=C(C1=C(CCC1)Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.416g/mol
Monoisotopic Mass:
294.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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