200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 885268-41-7
885268-41-7 | 4-ETHYL-2-MERCAPTO-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBO+
CAS No: 885268-41-7 Catalog No: AG01APZH MDL No:MFCD00435842
Product Description
Catalog Number:
AG01APZH
Chemical Name:
4-ETHYL-2-MERCAPTO-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBO+
CAS Number:
885268-41-7
Molecular Formula:
C14H16N2OS
Molecular Weight:
260.3546
MDL Number:
MFCD00435842
IUPAC Name:
4-ethyl-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C14H16N2OS/c1-4-8-9(7-15)13(18)16-10-5-14(2,3)6-11(17)12(8)10/h4-6H2,1-3H3,(H,16,18)
InChI Key:
XDNJIYOTWTYIBV-UHFFFAOYSA-N
SMILES:
CCc1c2C(=O)CC(Cc2nc(c1C#N)S)(C)C
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.355g/mol
Monoisotopic Mass:
260.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.