4-Chloro-2-methyl-3,4-dihydro-2H-thieno-[2,3-e][1,2]thiazine 1,1-dioxide|4-chloro-2-methyl-3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione|4-chloro-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[...

General Information

Structure

Molecular Formula

C₇H₈ClNO₂S₂

Molecular Mass

237.72692

Exact Mass

236.96849818

Charge

InChI

InChI=1S/C7H8ClNO2S2/c1-9-4-5(8)7-6(2-3-12-7)13(9,10)11/h2-3,5H,4H2,1H3

InChIKey

LKFBXXDBLFUSRL-UHFFFAOYSA-N

Canonic Smiles

ClC1CN(C)S(=O)(=O)c2c1scc2

Isomeric Smiles

S1(=O)(=O)c2c(C(CN1C)Cl)scc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4149944

LogD (pH = 7.4)

1.4149944

Log P

1.4149944

Molar Refractivity

52.4673

Polarizability

21.067976

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Chloro-2-methyl-3,4-dihydro-2H-thieno-[2,3-e][1,2]thiazine 1,1-dioxide

IUPAC Traditional name

4-chloro-2-methyl-3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione

IUPAC name

4-chloro-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD12027025

PubChem CID

25219435

PubChem SID

160997538

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• MDL Number

• PubChem CID

• PubChem SID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:34231