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82633-78-1 | 2H-Cyclopent[d]isothiazol-3(4H)-one, 5,6-dihydro-
CAS No: 82633-78-1 Catalog No: AG004XMH MDL No:
Product Description
Catalog Number:
AG004XMH
Chemical Name:
2H-Cyclopent[d]isothiazol-3(4H)-one, 5,6-dihydro-
CAS Number:
82633-78-1
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
InChI:
InChI=1S/C6H7NOS/c8-6-4-2-1-3-5(4)9-7-6/h1-3H2,(H,7,8)
InChI Key:
IQNYLDNSEGALMT-UHFFFAOYSA-N
SMILES:
O=c1[nH]sc2c1CCC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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