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67532-83-6 | Ethanethioic acid, iodo-, S-phenyl ester
CAS No: 67532-83-6 Catalog No: AG005MUQ MDL No:
Product Description
Catalog Number:
AG005MUQ
Chemical Name:
Ethanethioic acid, iodo-, S-phenyl ester
CAS Number:
67532-83-6
Molecular Formula:
C8H7IOS
Molecular Weight:
278.1101
IUPAC Name:
S-phenyl 2-iodoethanethioate
InChI:
InChI=1S/C8H7IOS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
YSEIRMTWYIYLOW-UHFFFAOYSA-N
SMILES:
ICC(=O)Sc1ccccc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.926g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.107g/mol
Monoisotopic Mass:
277.926g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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