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69747-26-8 | Benzothiazole, 2-[[(2E)-3-phenyl-2-propenyl]thio]-
CAS No: 69747-26-8 Catalog No: AG0067NW MDL No:
Product Description
Catalog Number:
AG0067NW
Chemical Name:
Benzothiazole, 2-[[(2E)-3-phenyl-2-propenyl]thio]-
CAS Number:
69747-26-8
Molecular Formula:
C16H13NS2
Molecular Weight:
283.4111
IUPAC Name:
2-(3-phenylprop-2-enylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C16H13NS2/c1-2-7-13(8-3-1)9-6-12-18-16-17-14-10-4-5-11-15(14)19-16/h1-11H,12H2
InChI Key:
AISLEDOYCUXKHB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/CSc1nc2c(s1)cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.407g/mol
Monoisotopic Mass:
283.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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