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14779-17-0 | 2-Benzothiazolamine, 5-methyl-
CAS No: 14779-17-0 Catalog No: AG001F7K MDL No:MFCD00205354
Product Description
Catalog Number:
AG001F7K
Chemical Name:
2-Benzothiazolamine, 5-methyl-
CAS Number:
14779-17-0
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00205354
IUPAC Name:
5-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)
InChI Key:
MELAGXOBBSTJPI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(s2)N
NSC Number:
45346
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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