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208458-67-7 | 6-Benzothiazolamine, 4,7-dimethyl-
CAS No: 208458-67-7 Catalog No: AG002JPR MDL No:
Product Description
Catalog Number:
AG002JPR
Chemical Name:
6-Benzothiazolamine, 4,7-dimethyl-
CAS Number:
208458-67-7
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
4,7-dimethyl-1,3-benzothiazol-6-amine
InChI:
InChI=1S/C9H10N2S/c1-5-3-7(10)6(2)9-8(5)11-4-12-9/h3-4H,10H2,1-2H3
InChI Key:
QHNJEZZTFHKWFM-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c2c(c1C)scn2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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