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Home Halogens 2-(tert-Butyl)-5-chloroisothiazol-3(2H)-one

2-(tert-Butyl)-5-chloroisothiazol-3(2H)-one

CAS No.:
850314-12-4
Catalog Number:
AG004PY4
Molecular Formula:
C7H10ClNOS
Molecular Weight:
191.6784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$102
- +
250mg
95%
In Stock USA
United States
$169
- +
1g
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG004PY4
Chemical Name:
2-(tert-Butyl)-5-chloroisothiazol-3(2H)-one
CAS Number:
850314-12-4
Molecular Formula:
C7H10ClNOS
Molecular Weight:
191.6784
MDL Number:
MFCD07779520
IUPAC Name:
2-tert-butyl-5-chloro-1,2-thiazol-3-one
InChI:
InChI=1S/C7H10ClNOS/c1-7(2,3)9-6(10)4-5(8)11-9/h4H,1-3H3
InChI Key:
XVHZFBOFVTZDHG-UHFFFAOYSA-N
SMILES:
CC(n1sc(cc1=O)Cl)(C)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.673g/mol
Monoisotopic Mass:
191.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties