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26530-19-8 | 3(2H)-Isothiazolone, 2-decyl-
CAS No: 26530-19-8 Catalog No: AG002TL2 MDL No:
Product Description
Catalog Number:
AG002TL2
Chemical Name:
3(2H)-Isothiazolone, 2-decyl-
CAS Number:
26530-19-8
Molecular Formula:
C13H23NOS
Molecular Weight:
241.3928
IUPAC Name:
2-decyl-1,2-thiazol-3-one
InChI:
InChI=1S/C13H23NOS/c1-2-3-4-5-6-7-8-9-11-14-13(15)10-12-16-14/h10,12H,2-9,11H2,1H3
InChI Key:
CRBWEAMRKIUGDJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCn1sccc1=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.15g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.393g/mol
Monoisotopic Mass:
241.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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