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2-Mercaptothiophene

CAS 7774-74-5C4H4S2MW 115.97 g/mol

2-Mercaptothiophene (CAS 7774-74-5) — formula C4H4S2, molecular weight 115.97 g/mol; category organic chemicals.

Product Overview

CAS Number7774-74-5
Molecular FormulaC4H4S2
Molecular Weight115.97 g/mol
Boiling Point166.00 °C. @ 760.00 mm Hg
LogP2.2
CategoryOrganic Chemicals

Technical Profile

What this product is

2-Mercaptothiophene is a carbon-based organic compound with CAS registry number 7774-74-5 and molecular formula C4H4S2 (molecular weight 115.97 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 7774-74-5

Its molecular formula C4H4S2 comprises 4 C, 4 H, 2 S atoms.

Also known as: 2-Mercaptothiophene · 2-巯基噻吩 · Thiophene-2-thiol

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-Mercaptothiophene?

The CAS registry number of 2-Mercaptothiophene is 7774-74-5.

What is the molecular formula and molecular weight of 2-Mercaptothiophene?

Molecular formula C4H4S2, molecular weight 115.97 g/mol.

What other names is 2-Mercaptothiophene known by?

It is also registered under: 2-Mercaptothiophene, 2-巯基噻吩, Thiophene-2-thiol.

Which category does 2-Mercaptothiophene belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-Mercaptothiophene (CAS 7774-74-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number7774-74-5
PubChem CID522674
Molecular formulaC4H4S2
IUPAC namethiophene-2-thiol
UNII (FDA)F3LB1437XQ
FEMA number3062
JECFA number1052

Computed descriptors

Molecular Weight116.2
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass115.97544247
Monoisotopic Mass115.97544247
Topological Polar Surface Area29.2
Heavy Atom Count6

Physicochemical values on record

Boiling Point166.00 °C. @ 760.00 mm Hg
Boiling Point166 °C
Density1.250-1.255
Refractive Index1.618-1.622

Documented uses on record

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

Thiophene-2-thiol; 2-Thiophenethiol; 7774-74-5; 2-Thienyl mercaptan; 2-thienylmercaptan; FEMA No. 3062; UNII-F3LB1437XQ; F3LB1437XQ; 2-THIENYL MERCAPTAN [FHFI]; EINECS 231-881-1; DTXSID40228362; RefChem:89471; DTXCID60150853; SWEDAZLCYJDAGW-UHFFFAOYSA-N; 2-Mercaptothiophene; thiophenethiol

Regulatory listings held on file

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Coffee
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary0.1% (1 / 1423)

GHS hazard classification

GHS notification summary0.1% (1 / 1423)
Reported hazard statementsH302 (96.3%), H312 (96%), H332 (96.3%)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1423) of reports.

H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]

What the public record says

Thiophene-2-thiol · CAS 7774-74-5 · C4H4S2. UNII F3LB1437XQ. Boiling Point: 166.00 °C. @ 760.00 mm Hg; Boiling Point: 166 °C; Density: 1.250-1.255.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.

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