CAS 948007-59-8|2,3-Dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide|2H,3H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione|2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4...

General Information

Structure

Molecular Formula

C₆H₅NO₃S₂

Molecular Mass

203.2388

Exact Mass

202.97108503

Charge

InChI

InChI=1S/C6H5NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,7H,3H2

InChIKey

BGSGHXGPHHVUFR-UHFFFAOYSA-N

Canonic Smiles

O=C1CNS(=O)(=O)c2c1scc2

Isomeric Smiles

s1ccc2c1C(=O)CNS2(=O)=O

Calculated Properties

JChem

Acid pKa

4.2495246

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2889885

LogD (pH = 7.4)

-2.711546

Log P

-0.025189435

Molar Refractivity

43.8462

Polarizability

17.498121

Polar Surface Area

63.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2,3-Dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide2H-thieno[2,3-e][1,2]thiazin-4(3H)-one 1,1-dioxide

IUPAC Traditional name

2H,3H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione 2H,3H-1λ⁶,5,2-thieno[2,3-e][1λ⁶,2]thiazine-1,1,4-trione 2H,3H-1λ⁶-thieno[2,3-e][1,2]thiazine-1,1,4-trione

IUPAC name

2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione 2H,3H,4H-1λ⁶,5,2-thieno[2,3-e][1λ⁶,2]thiazine-1,1,4-trione 2H,3H,4H-1λ⁶-thieno[2,3-e][1,2]thiazine-1,1,4-trione

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

Registration numbers

Properties