200,000+ products from a single source!
sales@angenechem.com
157521-26-1 | Benzenepropanoic acid, α-(acetylthio)-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 157521-26-1 Catalog No: AG001PHL MDL No:
Product Description
Catalog Number:
AG001PHL
Chemical Name:
Benzenepropanoic acid, α-(acetylthio)-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
157521-26-1
Molecular Formula:
C23H35NO3S
Molecular Weight:
405.5939
IUPAC Name:
(2S)-2-(2-acetylsulfanylphenyl)propanoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C12H23N.C11H12O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(11(13)14)9-5-3-4-6-10(9)15-8(2)12/h11-13H,1-10H2;3-7H,1-2H3,(H,13,14)/t;7-/m.0/s1
InChI Key:
WUIXIHOBSZZBFD-ZLTKDMPESA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@H](Cc1ccccc1)SC(=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.234g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.597g/mol
Monoisotopic Mass:
405.234g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.