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918636-90-5 | Isothiazole, 2,5-dihydro-2-octyl-
CAS No: 918636-90-5 Catalog No: AG006CLB MDL No:
Product Description
Catalog Number:
AG006CLB
Chemical Name:
Isothiazole, 2,5-dihydro-2-octyl-
CAS Number:
918636-90-5
Molecular Formula:
C11H21NS
Molecular Weight:
199.3561
IUPAC Name:
2-octyl-5H-1,2-thiazole
InChI:
InChI=1S/C11H21NS/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10H,2-7,9,11H2,1H3
InChI Key:
CUMFBSFGYFKZSA-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1SCC=C1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.139g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.356g/mol
Monoisotopic Mass:
199.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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