3-Methylthiophene

HCID 178956176CAS 84928-92-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccsc1
InChIKey
QENGPZGAWFQWCZ-UHFFFAOYSA-N
Molecular formula
C5H6S
Average molar mass
98.17 g/mol

Overview

3-Methylthiophene is a member of thiophenes.

Names & identifiers

Preferred name
3-Methylthiophene
IUPAC
3-methylthiophene
English name
Poly(3-methylthiophene)
Molecular formula
C5H6S
Molecular weight
98.16614

Names & synonyms

3-METHYLTHIOPHENE616-44-4Thiophene, 3-methyl-3-Thiotolenebeta-Methylthiophene3-methyl-thiopheneMethyl-3-thiophene.beta.-MethylthiopheneMFCD00005470FK9ID0X5QVNSC-65439CCRIS 2937
Show more names
Poly(3-methylthiophene)
EINECS 210-482-6NSC 65439BRN 0001300b-Thiotolene3-methyl thiophene3-THIENYLMETHANEUNII-FK9ID0X5QV3-Methylthiophene, 98%

Database identifiers

CAS
84928-92-7
ChEBI
CHEBI:89007
UNII
FK9ID0X5QV
EC Number
210-482-6
Nikkaji
J37.034G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 items

2.34

2.34

Flavoring AgentsEU Flavoring substances
Solubility0.4 mg/mL at 25 °C
Boiling Point115.00 °C. @ 760.00 mm Hg

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Thiophene, 3-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiophene, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [EFSA] Harmful by ingestion and inhalation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (99.5%)

Toxicology

Toxicity DataLC50 (mouse) = 18,000 mg/m3/2hr

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

UsesA flavoring agent that naturally occurs in papaya; [EFSA]
General Manufacturing InformationThiophene, 3-methyl-: ACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: 3-Methylthiophene is a member of thiophenes.

Related reactions

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