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830321-10-3 | Benzothiazole, 2-[(1E)-1-octenylthio]-
CAS No: 830321-10-3 Catalog No: AG008KEQ MDL No:
Product Description
Catalog Number:
AG008KEQ
Chemical Name:
Benzothiazole, 2-[(1E)-1-octenylthio]-
CAS Number:
830321-10-3
Molecular Formula:
C15H19NS2
Molecular Weight:
277.4481
IUPAC Name:
2-oct-1-enylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C15H19NS2/c1-2-3-4-5-6-9-12-17-15-16-13-10-7-8-11-14(13)18-15/h7-12H,2-6H2,1H3
InChI Key:
AZWMEUXXXHICIZ-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1nc2c(s1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.444g/mol
Monoisotopic Mass:
277.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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