CAS 13031-76-0|3-Hydroxysulpholane|3-hydroxy-1$l^{6}-thiolane-1,1-dione|3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione|3-hydroxy-1$l^{6}-thiolane-1,1-dione|3-hydroxy-1λ<sup>6</sup>-thiolane-...

General Information

Structure

Molecular Formula

C₄H₈O₃S

Molecular Mass

136.16952

Exact Mass

136.01941512

Charge

InChI

InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2

InChIKey

AMXKVIWWXBYXRS-UHFFFAOYSA-N

Canonic Smiles

OC1CCS(=O)(=O)C1

Isomeric Smiles

S1(=O)(=O)CC(O)CC1

Calculated Properties

JChem

Acid pKa

14.325458

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7384934

LogD (pH = 7.4)

-1.7384936

Log P

-1.7384934

Molar Refractivity

28.8123

Polarizability

12.284272

Polar Surface Area

54.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-Hydroxysulpholane3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dionetetrahydro-3-thiopheneol 1,1-dioxide3-hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione3-hydroxytetrahydrothiophene 1,1-dioxideTetrahydrothiophene-3-ol 1,1-dioxideNSC 147314Tetrahydrothiophene-3-ol 1,1-DioxideSulfolan-3-ol 3-Hydroxythiolane 1,1-Dioxide3-Hydroxysulfolane3-hydroxy-1$l^{6}-thiolane-1,1-dione

IUPAC Traditional name

3-hydroxy-1$l^{6}-thiolane-1,1-dione 3-hydroxy-1λ⁶-thiolane-1,1-dione

IUPAC name

3-hydroxy-1$l^{6}-thiolane-1,1-dione 3-hydroxy-1λ⁶-thiolane-1,1-dione

Names and Identifiers

Registration numbers

CAS Number

13031-76-0

PubChem CID

98932

PubChem SID

162072454