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103440-72-8 | Benzothiazole,2,7-dimethyl-
CAS No: 103440-72-8 Catalog No: AG0085OJ MDL No:
Product Description
Catalog Number:
AG0085OJ
Chemical Name:
Benzothiazole,2,7-dimethyl-
CAS Number:
103440-72-8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
IUPAC Name:
2,7-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-6-4-3-5-8-9(6)11-7(2)10-8/h3-5H,1-2H3
InChI Key:
SIWLOEHFEYDEDR-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cccc2C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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