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1003-22-1 | 3-Isothiazolidinone, 2-methyl-
CAS No: 1003-22-1 Catalog No: AG0001HN MDL No:
Product Description
Catalog Number:
AG0001HN
Chemical Name:
3-Isothiazolidinone, 2-methyl-
CAS Number:
1003-22-1
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
IUPAC Name:
2-methyl-1,2-thiazolidin-3-one
InChI:
InChI=1S/C4H7NOS/c1-5-4(6)2-3-7-5/h2-3H2,1H3
InChI Key:
PUSPAPGHKSLKKH-UHFFFAOYSA-N
SMILES:
O=C1CCSN1C
Properties
Complexity:
93.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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