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125341-74-4 | 1H-Indene-2-carbothioamide, 2,3-dihydro-1-oxo-N-phenyl-
CAS No: 125341-74-4 Catalog No: AG000NHZ MDL No:
Product Description
Catalog Number:
AG000NHZ
Chemical Name:
1H-Indene-2-carbothioamide, 2,3-dihydro-1-oxo-N-phenyl-
CAS Number:
125341-74-4
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
3-oxo-N-phenyl-1,2-dihydroindene-2-carbothioamide
InChI:
InChI=1S/C16H13NOS/c18-15-13-9-5-4-6-11(13)10-14(15)16(19)17-12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,19)
InChI Key:
KLTYUJANKAWFIW-UHFFFAOYSA-N
SMILES:
S=C(C1Cc2c(C1=O)cccc2)Nc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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