2,5-Dimethyl 3-(chlorosulfonyl)thiophene-2,5-dicarboxylate
Basic information
- CAS
158439-31-7- Standard SMILES
COC(=O)c1cc(S(=O)(=O)Cl)c(C(=O)OC)s1- InChIKey
WBSHFGSLQJTPAA-UHFFFAOYSA-N- Molecular formula
- C8H7ClO6S2
- Average molar mass
- 298.7 g/mol
- Monoisotopic mass
- 297.937258
Names & identifiers
- Preferred name
- 2,5-Dimethyl 3-(chlorosulfonyl)thiophene-2,5-dicarboxylate
- IUPAC
- dimethyl 3-chlorosulfonylthiophene-2,5-dicarboxylate
- English name
- methyl 5-chloro-3-chlorosuphonylthiophene-2-carboxylate
- Molecular formula
- C8H7ClO6S2
- Molecular weight
- 298.72
Names & synonyms
2,5-dimethyl 3-(chlorosulfonyl)thiophene-2,5-dicarboxylate2,5-Thiophenedicarboxylic acid, 3-(chlorosulfonyl)-, 2,5-dimethyl esterDimethyl 3-(chlorosulfonyl)thiophene-2,5-dicarboxylateSCHEMBL3019240AKOS000280511EN300-64878G54536dimethyl 3-chlorosulfonylthiophene-2,5-dicarboxylateDimethyl3-(chlorosulfonyl)thiophene-2,5-dicarboxylateAlbb-004863Lornoxicam intermediate 1Dimethyl 3-chlorosulfonyl-2,5-thiophenedicarboxylate
Show more names
methyl 5-chloro-3-chlorosuphonylthiophene-2-carboxylate3-(Chlorosulfonyl)-2,5-thiophenedicarboxylic acid dimethyl estermethyl 5-chloro-3-(chlorosulfonyl)-2-thiophenecarboxylate(SALTDATA: FREE)methyl 5-chloro-3-chlorosuphonylthiophene-2-carboxylate ISO 9001：2015 REACH
Database identifiers
- CAS
158439-31-7- PubChem CID
- 16639124
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 434.5 · 434.5±45.0 °C(Predicted)
- Density
- 1.561 · 1.561
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…