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89209-04-1 | 2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-
CAS No: 89209-04-1 Catalog No: AG00445M MDL No:
Product Description
Catalog Number:
AG00445M
Chemical Name:
2,1,3-Benzothiadiazole, 4-(1,1-dimethylethyl)-6-methyl-
CAS Number:
89209-04-1
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
IUPAC Name:
4-tert-butyl-6-methyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C11H14N2S/c1-7-5-8(11(2,3)4)10-9(6-7)12-14-13-10/h5-6H,1-4H3
InChI Key:
JNBOTKOXLWMOLA-UHFFFAOYSA-N
SMILES:
Cc1cc2nsnc2c(c1)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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