6,8-dimethyl-1,3-benzothiazine-2,4-dione

C10H9NO2S — CID 11506705

IUPAC6,8-dimethyl-1,3-benzothiazine-2,4-dione
SMILESCc1cc(C)c2sc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H9NO2S/c1-5-3-6(2)8-7(4-5)9(12)11-10(13)14-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyANAPBYNBRXYCHI-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.57
Rot. Bonds

About 6,8-dimethyl-1,3-benzothiazine-2,4-dione

6,8-dimethyl-1,3-benzothiazine-2,4-dione (PubChem CID 11506705) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 6,8-dimethyl-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name6,8-dimethyl-1,3-benzothiazine-2,4-dione
PubChem CID11506705
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name6,8-dimethyl-1,3-benzothiazine-2,4-dione
SMILESCc1cc(C)c2sc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H9NO2S/c1-5-3-6(2)8-7(4-5)9(12)11-10(13)14-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyANAPBYNBRXYCHI-UHFFFAOYSA-N
XLogP1.57
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,3-Benzothiazine-2,4(3H)-dione
CID 3499793
2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
CID 786880
1,3-Benzothiazin-4-ol
CID 19706965
6-Fluoro-1,3-benzothiazine-2,4-dione
CID 21331308
2-(2-fluoro-5-methylphenyl)-2-methyl-3H-1,3-benzothiazin-4-one
CID 70847562
3-Methyl-1,3-benzothiazine-2,4-dione
CID 11458209
3-Propyl-1,3-benzothiazine-2,4-dione
CID 3745945
3-allyl-2H-1,3-benzothiazine-2,4(3H)-dione
CID 3776809
3-Ethyl-1,3-benzothiazine-2,4-dione
CID 28381175
3-Propan-2-yl-1,3-benzothiazine-2,4-dione
CID 121220364
spiro[3H-1,3-benzothiazine-2,1'-cyclohexane]-4-one
CID 12419562
S-[2-(ethylcarbamoyl)-4-methylphenyl] N-ethylcarbamothioate
CID 12490395

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,3-benzothiazine-2,4-dione?
The IUPAC name of 6,8-dimethyl-1,3-benzothiazine-2,4-dione (CID 11506705) is 6,8-dimethyl-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 6,8-dimethyl-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 6,8-dimethyl-1,3-benzothiazine-2,4-dione is Cc1cc(C)c2sc(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-1,3-benzothiazine-2,4-dione?
The InChIKey is ANAPBYNBRXYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-5-3-6(2)8-7(4-5)9(12)11-10(13)14-8/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 6,8-dimethyl-1,3-benzothiazine-2,4-dione?
6,8-dimethyl-1,3-benzothiazine-2,4-dione has a molecular weight of 207.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 11506705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).