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26542-16-5 | 3(2H)-Isothiazolone, 2-(1,1-dimethylethyl)-
CAS No: 26542-16-5 Catalog No: AG00I51C MDL No:MFCD22570546
Product Description
Catalog Number:
AG00I51C
Chemical Name:
3(2H)-Isothiazolone, 2-(1,1-dimethylethyl)-
CAS Number:
26542-16-5
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD22570546
IUPAC Name:
2-tert-butyl-1,2-thiazol-3-one
InChI:
InChI=1S/C7H11NOS/c1-7(2,3)8-6(9)4-5-10-8/h4-5H,1-3H3
InChI Key:
ODQNPFWWAYSDOI-UHFFFAOYSA-N
SMILES:
O=c1ccsn1C(C)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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