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1457-93-8 | 2,1,3-Benzothiadiazole, 5-methyl-
CAS No: 1457-93-8 Catalog No: AG001DBS MDL No:MFCD00173945
Product Description
Catalog Number:
AG001DBS
Chemical Name:
2,1,3-Benzothiadiazole, 5-methyl-
CAS Number:
1457-93-8
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD00173945
IUPAC Name:
5-methyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChI Key:
XDQJAYFCPRWDOL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nsn2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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