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1379354-90-1 | S-3-iso-Propoxyphenylthioacetate
CAS No: 1379354-90-1 Catalog No: AG01FEOT MDL No:
Product Description
Catalog Number:
AG01FEOT
Chemical Name:
S-3-iso-Propoxyphenylthioacetate
CAS Number:
1379354-90-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
S-(3-propan-2-yloxyphenyl) ethanethioate
InChI:
InChI=1S/C11H14O2S/c1-8(2)13-10-5-4-6-11(7-10)14-9(3)12/h4-8H,1-3H3
InChI Key:
UFQVGQJKXYKCRJ-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)SC(=O)C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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