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1200-28-8

1200-28-8 | Methanesulfonothioic acid, S-(4-chlorophenyl) ester

CAS No: 1200-28-8 Catalog No: AG000Q26 MDL No:

Product Description

Catalog Number:
AG000Q26
Chemical Name:
Methanesulfonothioic acid, S-(4-chlorophenyl) ester
CAS Number:
1200-28-8
Molecular Formula:
C7H7ClO2S2
Molecular Weight:
222.7123
IUPAC Name:
1-chloro-4-methylsulfonylsulfanylbenzene
InChI:
InChI=1S/C7H7ClO2S2/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:
HRDUILPJXCHZPN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SS(=O)(=O)C
NSC Number:
40484

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.701g/mol
Monoisotopic Mass:
221.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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