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14779-18-1 | 2-Benzothiazolamine, 7-methyl-
CAS No: 14779-18-1 Catalog No: AG001F7J MDL No:MFCD18813153
Product Description
Catalog Number:
AG001F7J
Chemical Name:
2-Benzothiazolamine, 7-methyl-
CAS Number:
14779-18-1
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD18813153
IUPAC Name:
7-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChI Key:
JNPSTPOSZUGYDH-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)c(C)ccc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/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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