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14476-63-2 | Benzeneethanethioic acid, S-ethyl ester
CAS No: 14476-63-2 Catalog No: AG001K4O MDL No:
Product Description
Catalog Number:
AG001K4O
Chemical Name:
Benzeneethanethioic acid, S-ethyl ester
CAS Number:
14476-63-2
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
S-ethyl 2-phenylethanethioate
InChI:
InChI=1S/C10H12OS/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
IMCBPLIREFBOKS-UHFFFAOYSA-N
SMILES:
CCSC(=O)Cc1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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