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1005-56-7 | Carbonochloridothioic acid, O-phenyl ester
CAS No: 1005-56-7 Catalog No: AG00025J MDL No:MFCD00004920
Product Description
Catalog Number:
AG00025J
Chemical Name:
Carbonochloridothioic acid, O-phenyl ester
CAS Number:
1005-56-7
Molecular Formula:
C7H5ClOS
Molecular Weight:
172.6320
MDL Number:
MFCD00004920
IUPAC Name:
O-phenyl chloromethanethioate
InChI:
InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
InChI Key:
KOSYAAIZOGNATQ-UHFFFAOYSA-N
SMILES:
ClC(=S)Oc1ccccc1
EC Number:
213-736-4
NSC Number:
99103
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.626g/mol
Monoisotopic Mass:
171.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Correlation of the rates of solvolysis of i-butyl fluoroformate and a consideration of leaving-group effects. | International journal of molecular sciences 20110101 |
| Use of empirical correlations to determine solvent effects in the solvolysis of S-methyl chlorothioformate. | International journal of molecular sciences 20100101 |
| Analysis of the nucleophilic solvation effects in isopropyl chlorothioformate solvolysis. | International journal of molecular sciences 20100101 |
| Grunwald-Winstein analysis: isopropyl chloroformate solvolysis revisited. | International journal of molecular sciences 20090301 |
| Corrrelation of the specific rates of solvolysis of ethyl fluoroformate using the extended Grunwald-Winstein equation. | International journal of molecular sciences 20090301 |
| Reduction of ribonucleosides to 2'-deoxyribonucleosides. | Current protocols in nucleic acid chemistry 20050701 |
| Regioselective synthesis of alditol vicinal bis-cyclic thionocarbonates via alditol stannylene acetal complexes as a short and efficient route to alpha,omega-diiodoalditol derivatives. | Carbohydrate research 20020107 |
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