CAS 51070-56-5|[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid|(1,1-Dioxotetrahydro-1-lambda*6*-thiophen-3-yl-amino)acetic acid|2-[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid|[(1,1-dioxo-1...

General Information

Structure

Molecular Formula

C₆H₁₁NO₄S

Molecular Mass

193.22084

Exact Mass

193.04087884

Charge

InChI

InChI=1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)

InChIKey

NLJKAAYXSDTMSI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CNC1CCS(=O)(=O)C1

Isomeric Smiles

O=C(O)CNC1CCS(=O)(=O)C1

Calculated Properties

JChem

Acid pKa

1.1423442

H Acceptors

H Donor

LogD (pH = 5.5)

-4.4057984

LogD (pH = 7.4)

-4.4225144

Log P

-4.4056835

Molar Refractivity

41.329

Polarizability

17.4344

Polar Surface Area

83.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid [(1,1-dioxo-1λ⁶-thiolan-3-yl)amino]acetic acid

Synonyms

(1,1-Dioxotetrahydro-1-lambda*6*-thiophen-3-yl-amino)acetic acidN-(1,1-Dioxidotetrahydro-3-thienyl)glycineN-(1,1-Dioxidotetrahydro-3-thienyl)glycine hydrochloride3-[(Carboxymethy)lamino]thiolane 1,1-dioxideN-(1,1-Dioxidotetrahydrothien-3-yl)glycine[(1,1-Dioxidotetrahydrothien-3-yl)amino]acetic acid2-((1,1-dioxidotetrahydrothiophen-3-yl)amino)acetic acid

IUPAC name

2-[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid 2-[(1,1-dioxo-1λ⁶-thiolan-3-yl)amino]acetic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD00462458MFCD00456684

CAS Number

51070-56-5

PubChem CID

2735704

PubChem SID

160974106

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Irritant

TSCA Listed

false

Product Information

HCl

95+%

95%

Properties

Related Proteins

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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

Names and Identifiers

IUPAC Traditional name

[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid [(1,1-dioxo-1λ⁶-thiolan-3-yl)amino]acetic acid

Synonyms

IUPAC name

2-[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]acetic acid 2-[(1,1-dioxo-1λ⁶-thiolan-3-yl)amino]acetic acid

Registration numbers

MDL Number

MFCD00462458MFCD00456684

CAS Number

51070-56-5

PubChem CID

2735704

PubChem SID

160974106

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Irritant

TSCA Listed

false

Product Information

HCl

95+%

95%

Molecule

ID:10799