sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2-tert-Butyl-5-chloro-1,1-dioxoisothiazol-3(2h)-one

2-tert-Butyl-5-chloro-1,1-dioxoisothiazol-3(2h)-one

CAS No.:
850314-47-5
Catalog Number:
AG004PY3
Molecular Formula:
C7H10ClNO3S
Molecular Weight:
223.6772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$441
- +
1g
95%
1 week
United States
$913
- +
5g
95%
1 week
United States
$2663
- +
Product Description
Catalog Number:
AG004PY3
Chemical Name:
2-tert-Butyl-5-chloro-1,1-dioxoisothiazol-3(2h)-one
CAS Number:
850314-47-5
Molecular Formula:
C7H10ClNO3S
Molecular Weight:
223.6772
MDL Number:
MFCD09029621
IUPAC Name:
2-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one
InChI:
InChI=1S/C7H10ClNO3S/c1-7(2,3)9-6(10)4-5(8)13(9,11)12/h4H,1-3H3
InChI Key:
HVIHMBJTRYBOCP-UHFFFAOYSA-N
SMILES:
O=C1C=C(S(=O)(=O)N1C(C)(C)C)Cl
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.007g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.671g/mol
Monoisotopic Mass:
223.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties