200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89050-54-4
89050-54-4 | Benzoic acid, 3-[(1,2,3,4-tetrahydro-1-naphthalenyl)thio]-, methyl ester
CAS No: 89050-54-4 Catalog No: AG0041N2 MDL No:
Product Description
Catalog Number:
AG0041N2
Chemical Name:
Benzoic acid, 3-[(1,2,3,4-tetrahydro-1-naphthalenyl)thio]-, methyl ester
CAS Number:
89050-54-4
Molecular Formula:
C18H18O2S
Molecular Weight:
298.3993
IUPAC Name:
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)benzoate
InChI:
InChI=1S/C18H18O2S/c1-20-18(19)14-8-4-9-15(12-14)21-17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChI Key:
OEBXQSKNYVVOEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)SC1CCCc2c1cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.4g/mol
Monoisotopic Mass:
298.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.