3-Hydroxy-2,4-dimethylthiophene

HCID 86364CAS 121144-97-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1csc(C)c1O
InChIKey
HQAKWHSNHXGQPA-UHFFFAOYSA-N
Molecular formula
C6H8OS
Average molar mass
128.19 g/mol
Monoisotopic mass
128.02958588

Names & identifiers

Preferred name
3-Hydroxy-2,4-dimethylthiophene
IUPAC
2,4-dimethylthiophen-3-ol

Names & synonyms

121144-97-6Thiophene-3-ol, 2,4-dimethyl-3-Hydroxy-2,4-dimethylthiophene2,4-dimethylthiophene-3-ol4WDS23V0MRDTXSID30295762,4-DIMETHYLTHIEN-3-OLRefChem:502309DTXCID409576895-463-62,4-dimethylthiophen-3-ol2,4-dimethyl-3-hydroxythiophene
Show more names
UNII-4WDS23V0MRSCHEMBL7992440NS00122025EN300-2502946Q27893182

Database identifiers

CAS
121144-97-6
PubChem CID
86364
DTXSID
DTXSID3029576
UNII
4WDS23V0MR
EC Number
895-463-6
Nikkaji
J1.596.623H

Properties

Computed structural properties

XLogP
2
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThiophene-3-ol, 2,4-dimethyl-: ACTIVE

Related reactions

2 records
New reaction record

Linked notes

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