Home Other Building Blocks 4-methylisothiazolidine 1,1-dioxide

4-methylisothiazolidine 1,1-dioxide

CAS No.:
89211-22-3
Catalog Number:
AG01AMUT
Molecular Formula:
C4H9NO2S
Molecular Weight:
135.1848
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Product Description
Catalog Number:
AG01AMUT
Chemical Name:
4-methylisothiazolidine 1,1-dioxide
CAS Number:
89211-22-3
Molecular Formula:
C4H9NO2S
Molecular Weight:
135.1848
MDL Number:
MFCD25985305
IUPAC Name:
4-methyl-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C4H9NO2S/c1-4-2-5-8(6,7)3-4/h4-5H,2-3H2,1H3
InChI Key:
ZJNXUAJQNBXKSL-UHFFFAOYSA-N
SMILES:
CC1CNS(=O)(=O)C1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.035g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.181g/mol
Monoisotopic Mass:
135.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties