2-Thiophenecarboxylic Acid, 3-(((2-Methoxy-2-Oxoethyl)Amino)Sulfonyl)-, Methyl Ester
Basic information
- CAS
106820-63-7- Standard SMILES
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC- InChIKey
KUTKKTKUSGIBPZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO6S2
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.00277942
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic Acid, 3-(((2-Methoxy-2-Oxoethyl)Amino)Sulfonyl)-, Methyl Ester
- IUPAC
- methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate
- English name
- Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate
- Molecular formula
- C9H11NO6S2
- Molecular weight
- 293.32
Names & synonyms
EC 600-780-82-Thiophenecarboxylic Acid, 3-[[(2-Methoxy-2-Oxoethyl)Amino]Sulfonyl]-, Methyl Ester2-Thiophenecarboxylic acid, 3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-, methyl esterRefChem:483776600-780-8106820-63-7Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylatemethyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylatemethyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylateMethyl N-(methoxycarbonylmethyl)-3-sulfamoyl-2-thiophenecarboxylateMFCD01570165methyl 3-[(methoxycarbonyl)methyl]sulphamoylthiophene-2-carboxylate
Show more names
Methyl 3-[(methoxycaLornoxicam Impurity 50methyl 2-(methyl(nitroso)amino)acetateMethyl3-(sulfamoylamino)acetate-2-thiophenecarboxylateMethyl 2-methoxycarbonylthiophene-3-sulfonylaminoacetateSulfonyl amino methyl acetate methyl carboxlyatethiopheneMethyl-3-SulfonylAminoMethylAcetate-2-ThiopheneCarboxylatemethyl-n-(methoxycarbonylmethyl)-3-sulfamoylthiophene-2-carb...Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxyla
Methyl 3-{[(2-methoxy-2-oxoethyl)amino]-sulfonyl}thiophene-2-carboxylatemethyl 3-((methoxycarbonylmethyl)sulfamoyl)thiophene-2-carboxylateMaybridge4_000790methyl 3-[n-(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylatemethyl 3-(methoxycarbonylmethyl-sulfamoyl)thiophene-2-carboxylateMethyl 3-{[(2-Methoxy-2-oxoethyl)amino]sulfonyl}thiophene-2-carboxylateOprea1_433716SCHEMBL29164906
Database identifiers
- CAS
106820-63-7- PubChem CID
- 717593
- DTXSID
DTXSID90352060- EC Number
- 600-780-8
- Nikkaji
- J1.876.542J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 96 · 96-98°C
- Boiling point
- 452.3 · 452.3±55.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 8.24 · 8.24±0.50(Predicted)
- CAS DataBase Reference
- 106820 · 106820-63-7(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-Thiophenecarboxylic Acid, 3-[[(2-Methoxy-2-Oxoethyl)Amino]Sulfonyl]-, Methyl Ester (EC: 600-780-8)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Applications
UsesMethyl N-(Methoxycarbonylmethyl)-3-sulfamoyl-2-thiophenecarboxylate is a useful research chemical used in the preparation and synthesis of analogs and derivatives of tenoxicam.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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