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428879-55-4 | Isothiazole, 2,3-dihydro-3-(1-methylethyl)-, 1,1-dioxide (9CI)
CAS No: 428879-55-4 Catalog No: AG00CZ3O MDL No:
Product Description
Catalog Number:
AG00CZ3O
Chemical Name:
Isothiazole, 2,3-dihydro-3-(1-methylethyl)-, 1,1-dioxide (9CI)
CAS Number:
428879-55-4
IUPAC Name:
3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
InChI:
InChI=1S/C6H11NO2S/c1-5(2)6-3-4-10(8,9)7-6/h3-7H,1-2H3
InChI Key:
CIFNOECOHMDBLI-UHFFFAOYSA-N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.219g/mol
Monoisotopic Mass:
161.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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