200,000+ products from a single source!
sales@angenechem.com
113641-66-0 | Butanoic acid, 5-[2-(ethylthio)propyl]-3-oxo-1-cyclohexen-1-yl ester
CAS No: 113641-66-0 Catalog No: AG00097I MDL No:
Product Description
Catalog Number:
AG00097I
Chemical Name:
Butanoic acid, 5-[2-(ethylthio)propyl]-3-oxo-1-cyclohexen-1-yl ester
CAS Number:
113641-66-0
Molecular Formula:
C15H24O3S
Molecular Weight:
284.4143
IUPAC Name:
[5-(2-ethylsulfanylpropyl)-3-oxocyclohexen-1-yl] butanoate
InChI:
InChI=1S/C15H24O3S/c1-4-6-15(17)18-14-9-12(8-13(16)10-14)7-11(3)19-5-2/h10-12H,4-9H2,1-3H3
InChI Key:
NYEHXJRCWJOVPK-UHFFFAOYSA-N
SMILES:
CCSC(CC1CC(=O)C=C(C1)OC(=O)CCC)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.145g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.414g/mol
Monoisotopic Mass:
284.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.