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25111-89-1 | Benzothiazole, 2,3-dihydro-2,2-dimethyl-
CAS No: 25111-89-1 Catalog No: AG002QJM MDL No:
Product Description
Catalog Number:
AG002QJM
Chemical Name:
Benzothiazole, 2,3-dihydro-2,2-dimethyl-
CAS Number:
25111-89-1
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
IUPAC Name:
2,2-dimethyl-3H-1,3-benzothiazole
InChI:
InChI=1S/C9H11NS/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6,10H,1-2H3
InChI Key:
VDAZKOYYAWJGJT-UHFFFAOYSA-N
SMILES:
CC1(C)Nc2c(S1)cccc2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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