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1286699-99-7 | 3-Methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-imine
CAS No: 1286699-99-7 Catalog No: AG01FMZE MDL No:MFCD22587638
Product Description
Catalog Number:
AG01FMZE
Chemical Name:
3-Methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-imine
CAS Number:
1286699-99-7
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
MDL Number:
MFCD22587638
IUPAC Name:
3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C9H10N2O2S2/c1-11-7-4-3-6(15(2,12)13)5-8(7)14-9(11)10/h3-5,10H,1-2H3
InChI Key:
MNBFHJWUTPWNFJ-UHFFFAOYSA-N
SMILES:
Cn1c(=N)sc2c1ccc(c2)S(=O)(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.311g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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