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1484-17-9 | Benzenecarbothioic acid, S-ethyl ester
CAS No: 1484-17-9 Catalog No: AG001KVW MDL No:
Product Description
Catalog Number:
AG001KVW
Chemical Name:
Benzenecarbothioic acid, S-ethyl ester
CAS Number:
1484-17-9
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
IUPAC Name:
S-ethyl benzenecarbothioate
InChI:
InChI=1S/C9H10OS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
XZJPOQGUMFRLEW-UHFFFAOYSA-N
SMILES:
CCSC(=O)c1ccccc1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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