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20368-65-4 | Cyclohexanecarbothioamide, 2-oxo-N-phenyl-
CAS No: 20368-65-4 Catalog No: AG002933 MDL No:
Product Description
Catalog Number:
AG002933
Chemical Name:
Cyclohexanecarbothioamide, 2-oxo-N-phenyl-
CAS Number:
20368-65-4
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
IUPAC Name:
2-oxo-N-phenylcyclohexane-1-carbothioamide
InChI:
InChI=1S/C13H15NOS/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,16)
InChI Key:
QQDQIUSEPHIKBF-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=S)Nc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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