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161300-73-8 | Isothiazolone, dihydro-
CAS No: 161300-73-8 Catalog No: AG001SBH MDL No:
Product Description
Catalog Number:
AG001SBH
Chemical Name:
Isothiazolone, dihydro-
CAS Number:
161300-73-8
Molecular Formula:
C3H5NOS
Molecular Weight:
103.1429
IUPAC Name:
2,3-dihydro-1,2-thiazole 1-oxide
InChI:
InChI=1S/C3H5NOS/c5-6-3-1-2-4-6/h1,3-4H,2H2
InChI Key:
YABHQQLSFUHFHD-UHFFFAOYSA-N
SMILES:
C1NS(=O)C=C1
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.009g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
103.139g/mol
Monoisotopic Mass:
103.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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