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89266-84-2 | Pentanamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-3-methyl-, (S)-
CAS No: 89266-84-2 Catalog No: AG0041TF MDL No:
Product Description
Catalog Number:
AG0041TF
Chemical Name:
Pentanamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-3-methyl-, (S)-
CAS Number:
89266-84-2
Molecular Formula:
C13H17ClN2OS
Molecular Weight:
284.8049
IUPAC Name:
(3S)-N-[(2-chlorophenyl)carbamothioyl]-3-methylpentanamide
InChI:
InChI=1S/C13H17ClN2OS/c1-3-9(2)8-12(17)16-13(18)15-11-7-5-4-6-10(11)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1
InChI Key:
MOTDPAHGQCENKH-VIFPVBQESA-N
SMILES:
CC[C@@H](CC(=O)NC(=S)Nc1ccccc1Cl)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.802g/mol
Monoisotopic Mass:
284.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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