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928151-44-4 | 3(2H)-Isothiazolone, 2-hexadecyl-
CAS No: 928151-44-4 Catalog No: AG00605C MDL No:
Product Description
Catalog Number:
AG00605C
Chemical Name:
3(2H)-Isothiazolone, 2-hexadecyl-
CAS Number:
928151-44-4
Molecular Formula:
C19H35NOS
Molecular Weight:
325.5523
IUPAC Name:
2-hexadecyl-1,2-thiazol-3-one
InChI:
InChI=1S/C19H35NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-19(21)16-18-22-20/h16,18H,2-15,17H2,1H3
InChI Key:
NBFGQYVNZIGZPP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCn1sccc1=O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.244g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.555g/mol
Monoisotopic Mass:
325.244g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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