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23222-36-8 | Benzothiazole, 2-(5-methyl-2-thienyl)-
CAS No: 23222-36-8 Catalog No: AG002MJR MDL No:
Product Description
Catalog Number:
AG002MJR
Chemical Name:
Benzothiazole, 2-(5-methyl-2-thienyl)-
CAS Number:
23222-36-8
Molecular Formula:
C12H9NS2
Molecular Weight:
231.3366
IUPAC Name:
2-(5-methylthiophen-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C12H9NS2/c1-8-6-7-11(14-8)12-13-9-4-2-3-5-10(9)15-12/h2-7H,1H3
InChI Key:
OXCMYOJSNHRDGO-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1nc2c(s1)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.331g/mol
Monoisotopic Mass:
231.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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