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1158749-45-1 | Benzothiazole, 6-ethenyl-
CAS No: 1158749-45-1 Catalog No: AG000H09 MDL No:
Product Description
Catalog Number:
AG000H09
Chemical Name:
Benzothiazole, 6-ethenyl-
CAS Number:
1158749-45-1
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
IUPAC Name:
6-ethenyl-1,3-benzothiazole
InChI:
InChI=1S/C9H7NS/c1-2-7-3-4-8-9(5-7)11-6-10-8/h2-6H,1H2
InChI Key:
KHPUDVBMCPZAQV-UHFFFAOYSA-N
SMILES:
C=Cc1ccc2c(c1)scn2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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