Basic information
- Standard SMILES
Cc1csc(C(=O)O)c1- InChIKey
YCIVJGQMXZZPAB-UHFFFAOYSA-N- Molecular formula
- C6H6O2S
- Average molar mass
- 142.18 g/mol
Names & identifiers
- Preferred name
- 4-Methylthiophene-2-carboxylic acid
- IUPAC
- 4-methylthiophene-2-carboxylic acid
- English name
- 4-methyl-2-thiophenecarboxylic acid
- Molecular formula
- C6H6O2S
- Molecular weight
- 142.18
Names & synonyms
4-Methylthiophene-2-carboxylic acid14282-78-1DTXSID90383233RefChem:294705DTXCID60334257627-957-24-methyl-2-thiophenecarboxylic acid4-Methyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 4-methyl-MFCD00089284SCHEMBL130041168902-34-9
Show more names
CHEMBL42906644-methyl-2-thiopene carboxylic acidBDBM50467733AKOS000303037BP-10448F2191-0136SCHEMBL130040orb3170102
Database identifiers
- CAS
168902-34-9- ChEMBL
CHEMBL4290664- EC Number
- 627-957-2
- Nikkaji
- J1.007.581E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.6%)
Chemistry & industry
Suppliers1 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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