7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one

C10H10ClNOS — CID 116994710

IUPAC7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one
SMILESCC1Sc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C10H10ClNOS/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3
InChIKeyRSGLDSXTMKGMNT-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.80
Rot. Bonds

About 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one

7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one (PubChem CID 116994710) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one
PubChem CID116994710
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one
SMILESCC1Sc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C10H10ClNOS/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3
InChIKeyRSGLDSXTMKGMNT-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-hydroxypropan-2-yl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 116994693
7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 116994662
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
6-acetyl-2,4-dimethyl-1,4-benzothiazin-3-one
CID 82097058
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
CID 124705861
6-chloro-3-methyl-1,2λ4,3-benzodithiazole 2-oxide
CID 102494813
5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
CID 71728924
5-chloro-1-methyl-3-phenyl-3H-indol-2-one
CID 56690292
2-(7-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetonitrile
CID 84634817
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one (CID 116994710) is 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one is CC1Sc2cc(Cl)ccc2N(C)C1=O.
What is the InChIKey of 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one?
The InChIKey is RSGLDSXTMKGMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,1-2H3.
What are the key properties of 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one?
7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one has a molecular weight of 227.72 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 116994710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).