Basic information
- CAS
168850-69-9- Standard SMILES
COC(=O)c1cc(C)c(C)s1- InChIKey
XXADHBPGMPBSBE-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- Methyl 4,5-dimethylthiophene-2-carboxylate
- IUPAC
- methyl 4,5-dimethylthiophene-2-carboxylate
- English name
- Methyl4,5-dimethylthiophene-2-carboxylate
- Molecular formula
- C8H10O2S
- Molecular weight
- 170.23
Names & synonyms
Methyl 4,5-dimethylthiophene-2-carboxylate168850-69-9Methyl4,5-dimethylthiophene-2-carboxylateSCHEMBL9925990DTXSID60434084XXADHBPGMPBSBE-UHFFFAOYSA-NAKOS0062399954,5-dimethyl-2-thiophenecarboxylic acid methyl ester2-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
Database identifiers
- CAS
168850-69-9- PubChem CID
- 10012331
- DTXSID
DTXSID60434084
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 255.7 · 255.7±35.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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