CAS 7774-74-5|2-Thiothiophene|thiophene-2-thiol|2-Mercaptothiophene|Thiophene-2-thiol|thiophene-2-thiol|2-Sulphanylthiophene|2-Thiophenethiol|噻吩-2-硫醇|Thienylmercaptan|2-噻吩硫醇|2-巯基噻吩|Thiop...

General Information

Structure

Molecular Formula

C₄H₄S₂

Molecular Mass

116.20456

Exact Mass

115.97544213

Charge

InChI

InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H

InChIKey

SWEDAZLCYJDAGW-UHFFFAOYSA-N

Canonic Smiles

Sc1cccs1

Isomeric Smiles

s1cccc1S

Calculated Properties

JChem

Acid pKa

5.8528934

H Acceptors

H Donor

LogD (pH = 5.5)

1.8605711

LogD (pH = 7.4)

0.81928843

Log P

2.0128908

Molar Refractivity

30.3335

Polarizability

12.033643

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Thiothiophene2-MercaptothiopheneThiophene-2-thiol2-Sulphanylthiophene2-Thiophenethiol噻吩-2-硫醇Thienylmercaptan2-噻吩硫醇2-巯基噻吩Thiophene-2-thiol, contains dimer2-Thienyl mercaptan2-硫醇噻吩, 含二聚物

IUPAC Traditional name

thiophene-2-thiol

IUPAC name

thiophene-2-thiol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Flavis Number

Council of Europe Number

478

FEMA ID

3062

Registration numbers

Properties

Pharmacology Properties

no known allergens

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Sigma Aldrich

W306207

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Review of thiophenethiols: Russ. Chem. Rev., 60, 1309 (1991).

• The nature of the unusual reversible dimerization reaction which occurs on standing has been studied: J. Org. Chem., 54, 3224 (1989); Doklady Akad. Nauk., 305, 624 (1989):

• Reaction with 2-bromothiophene in the presence of a Cu catalyst and KOH in DMF gives 2,2'-dithienyl sulfide: Org. Synth. Coll., 6, 558 (1988); with 2-iodothiophene, the product is obtained in high yield in the absence of catalyst, base or solvent: Tetrahedron Lett., 36, 8439 (1995).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

thiophene-2-thiol

IUPAC name

thiophene-2-thiol

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Flavis Number

Council of Europe Number

478

FEMA ID

3062

Molecule Details

Sigma Aldrich

W306207

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

References

PubChem Literature

From Data Sources

• Review of thiophenethiols: Russ. Chem. Rev., 60, 1309 (1991).

• The nature of the unusual reversible dimerization reaction which occurs on standing has been studied: J. Org. Chem., 54, 3224 (1989); Doklady Akad. Nauk., 305, 624 (1989):

Bioactivity

PubChem BioAssay

Properties

Pharmacology Properties

no known allergens

Molecule

ID:87147