200,000+ products from a single source!
sales@angenechem.com
60787-31-7 | S-4-Methoxyphenylthioacetate
CAS No: 60787-31-7 Catalog No: AG01FFC0 MDL No:
Product Description
Catalog Number:
AG01FFC0
Chemical Name:
S-4-Methoxyphenylthioacetate
CAS Number:
60787-31-7
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
IUPAC Name:
S-(4-methoxyphenyl) ethanethioate
InChI:
InChI=1S/C9H10O2S/c1-7(10)12-9-5-3-8(11-2)4-6-9/h3-6H,1-2H3
InChI Key:
JSOQLSKHJCYEOF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SC(=O)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
© 2019 Angene International Limited. All rights Reserved.