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192456-86-3 | Carbamothioic acid, (4-oxo-5,5-diphenylpentyl)-, S-methyl ester (9CI)
CAS No: 192456-86-3 Catalog No: AG002G06 MDL No:
Product Description
Catalog Number:
AG002G06
Chemical Name:
Carbamothioic acid, (4-oxo-5,5-diphenylpentyl)-, S-methyl ester (9CI)
CAS Number:
192456-86-3
Molecular Formula:
C19H21NO2S
Molecular Weight:
327.4405
IUPAC Name:
S-methyl N-(4-oxo-5,5-diphenylpentyl)carbamothioate
InChI:
InChI=1S/C19H21NO2S/c1-23-19(22)20-14-8-13-17(21)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3,(H,20,22)
InChI Key:
OKTPMWKAVYDGMA-UHFFFAOYSA-N
SMILES:
CSC(=O)NCCCC(=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.442g/mol
Monoisotopic Mass:
327.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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