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881652-45-5 | 4,5-Dihydroisothiazole 1,1-dioxide
CAS No: 881652-45-5 Catalog No: AG008C15 MDL No:MFCD22422807
Product Description
Catalog Number:
AG008C15
Chemical Name:
4,5-Dihydroisothiazole 1,1-dioxide
CAS Number:
881652-45-5
Molecular Formula:
C3H5NO2S
Molecular Weight:
119.1423
MDL Number:
MFCD22422807
IUPAC Name:
4,5-dihydro-1,2-thiazole 1,1-dioxide
InChI:
InChI=1S/C3H5NO2S/c5-7(6)3-1-2-4-7/h2H,1,3H2
InChI Key:
ISSUPMMZBZLKOZ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC=N1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.138g/mol
Monoisotopic Mass:
119.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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