200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 145041-54-9
145041-54-9 | 5,8-Methanoisoquinoline, 5,6,7,8-tetrahydro-1-(methylthio)-
CAS No: 145041-54-9 Catalog No: AG001KHV MDL No:MFCD22575193
Product Description
Catalog Number:
AG001KHV
Chemical Name:
5,8-Methanoisoquinoline, 5,6,7,8-tetrahydro-1-(methylthio)-
CAS Number:
145041-54-9
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD22575193
IUPAC Name:
3-methylsulfanyl-4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
InChI:
InChI=1S/C11H13NS/c1-13-11-10-8-3-2-7(6-8)9(10)4-5-12-11/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
ZBXOVOHAUQHUKV-UHFFFAOYSA-N
SMILES:
CSc1nccc2c1C1CCC2C1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.