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26542-18-7 | 3(2H)-Isothiazolone, 2-cyclohexyl-
CAS No: 26542-18-7 Catalog No: AG002TMA MDL No:
Product Description
Catalog Number:
AG002TMA
Chemical Name:
3(2H)-Isothiazolone, 2-cyclohexyl-
CAS Number:
26542-18-7
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
2-cyclohexyl-1,2-thiazol-3-one
InChI:
InChI=1S/C9H13NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChI Key:
HHPJKICDWHTLAV-UHFFFAOYSA-N
SMILES:
O=c1ccsn1C1CCCCC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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