Home Sulfos 3-Isothiazolecarboxylic acid, 4-(chlorosulfonyl)-, methyl ester

3-Isothiazolecarboxylic acid, 4-(chlorosulfonyl)-, methyl ester

CAS No.:
89502-21-6
Catalog Number:
AG0087NP
Molecular Formula:
C5H4ClNO4S2
Molecular Weight:
241.6726
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Product Description
Catalog Number:
AG0087NP
Chemical Name:
3-Isothiazolecarboxylic acid, 4-(chlorosulfonyl)-, methyl ester
CAS Number:
89502-21-6
Molecular Formula:
C5H4ClNO4S2
Molecular Weight:
241.6726
MDL Number:
MFCD19201109
IUPAC Name:
methyl 4-chlorosulfonyl-1,2-thiazole-3-carboxylate
InChI:
InChI=1S/C5H4ClNO4S2/c1-11-5(8)4-3(2-12-7-4)13(6,9)10/h2H,1H3
InChI Key:
WYKYCPZIJDWNPV-UHFFFAOYSA-N
SMILES:
COC(=O)c1nscc1S(=O)(=O)Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.927g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.66g/mol
Monoisotopic Mass:
240.927g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties