sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos Isopropyl benzenesulfonate

Isopropyl benzenesulfonate

CAS No.:
6214-18-2
Catalog Number:
AG00E8US
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$319
- +
Product Description
Catalog Number:
AG00E8US
Chemical Name:
Isopropyl benzenesulfonate
CAS Number:
6214-18-2
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD04038771
IUPAC Name:
propan-2-yl benzenesulfonate
InChI:
InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
YQZZXXKFKTWDPY-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)c1ccccc1)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Structure-activity considerations and in vitro approaches to assess the genotoxicity of 19 methane-, benzene- and toluenesulfonic acid esters. Mutation research 20050307
Properties