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830321-05-6 | Thiazole, 4,5-dihydro-2-[(1E)-1-octenylthio]-
CAS No: 830321-05-6 Catalog No: AG0053HG MDL No:
Product Description
Catalog Number:
AG0053HG
Chemical Name:
Thiazole, 4,5-dihydro-2-[(1E)-1-octenylthio]-
CAS Number:
830321-05-6
Molecular Formula:
C11H19NS2
Molecular Weight:
229.4053
IUPAC Name:
2-oct-1-enylsulfanyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C11H19NS2/c1-2-3-4-5-6-7-9-13-11-12-8-10-14-11/h7,9H,2-6,8,10H2,1H3
InChI Key:
RVUHVYJRJAMWKX-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/SC1=NCCS1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.4g/mol
Monoisotopic Mass:
229.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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