2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine

C11H10F3NS — CID 91193396

IUPAC2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
SMILESCC1=Nc2cc(C(F)(F)F)ccc2SC1C
InChIInChI=1S/C11H10F3NS/c1-6-7(2)16-10-4-3-8(11(12,13)14)5-9(10)15-6/h3-5,7H,1-2H3
InChIKeyANPGARFWKBUVGS-UHFFFAOYSA-N
MW245.27 g/mol
LogP4.29
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine

2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine (PubChem CID 91193396) has the molecular formula C11H10F3NS and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
PubChem CID91193396
Molecular FormulaC11H10F3NS
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
SMILESCC1=Nc2cc(C(F)(F)F)ccc2SC1C
InChIInChI=1S/C11H10F3NS/c1-6-7(2)16-10-4-3-8(11(12,13)14)5-9(10)15-6/h3-5,7H,1-2H3
InChIKeyANPGARFWKBUVGS-UHFFFAOYSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-(methylthio)benzotrifluoride
CID 606105
2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CID 11413760
3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905609
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
3H-Phenothiazin-3-one, 8-(trifluoromethyl)-
CID 620168
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 369428
Benzenamine, 2-(ethylthio)-5-(trifluoromethyl)-
CID 20388476
5-Methyl-2-[(2,2,2-trifluoroethyl)sulfanyl]aniline
CID 43302790
N'-[2-propylsulfanyl-5-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 139198030
7,9-Dimethyl-2,3-dipropyl-4-(trifluoromethyl)-1,5-benzothiazepine
CID 162414844
2-ethyl-3-phenyl-2H-1,4-benzothiazine
CID 154198566

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine (CID 91193396) is 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine is CC1=Nc2cc(C(F)(F)F)ccc2SC1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
The InChIKey is ANPGARFWKBUVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS/c1-6-7(2)16-10-4-3-8(11(12,13)14)5-9(10)15-6/h3-5,7H,1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine?
2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine has a molecular weight of 245.27 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 91193396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).