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1230950-52-3 | 2,1,3-Benzothiadiazol-5-amine, 6-methyl-
CAS No: 1230950-52-3 Catalog No: AG000K0T MDL No:MFCD20706930
Product Description
Catalog Number:
AG000K0T
Chemical Name:
2,1,3-Benzothiadiazol-5-amine, 6-methyl-
CAS Number:
1230950-52-3
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD20706930
IUPAC Name:
6-methyl-2,1,3-benzothiadiazol-5-amine
InChI:
InChI=1S/C7H7N3S/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,8H2,1H3
InChI Key:
HVYGXYVHTCFYPM-UHFFFAOYSA-N
SMILES:
Nc1cc2nsnc2cc1C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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