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16911-89-0 | Carbonochloridodithioic acid, phenyl ester
CAS No: 16911-89-0 Catalog No: AG001YHZ MDL No:MFCD00013429
Product Description
Catalog Number:
AG001YHZ
Chemical Name:
Carbonochloridodithioic acid, phenyl ester
CAS Number:
16911-89-0
Molecular Formula:
C7H5ClS2
Molecular Weight:
188.6976
MDL Number:
MFCD00013429
IUPAC Name:
phenyl chloromethanedithioate
InChI:
InChI=1S/C7H5ClS2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChI Key:
XEXIHCWFFNGQDE-UHFFFAOYSA-N
SMILES:
ClC(=S)Sc1ccccc1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.952g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.687g/mol
Monoisotopic Mass:
187.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Grunwald-Winstein analysis: isopropyl chloroformate solvolysis revisited. | International journal of molecular sciences 20090301 |
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