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Home Halogens Phenyl chlorothionocarbonate

Phenyl chlorothionocarbonate

CAS No.:
1005-56-7
Catalog Number:
AG00025J
Molecular Formula:
C7H5ClOS
Molecular Weight:
172.6320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00025J
Chemical Name:
Phenyl chlorothionocarbonate
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
Properties