Basic information
- CAS
6131-30-2- Standard SMILES
COC(=O)c1cc(C)sc1NC(=O)c1sc2cc(Cl)ccc2c1Cl- InChIKey
GRXMHJIHDUEFKB-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO3S2
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 398.9557409
Names & identifiers
- Preferred name
- Methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
- IUPAC
- methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
Names & synonyms
6131-30-2methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylateMETHYL 2-[(3,6-DICHLOROBENZOTHIOPHENE-2-CARBONYL)AMINO]-5-METHYL-THIOPHENE-3-CARBOXYLATECBMicro_046544Oprea1_872965DTXSID80387341STK423409AKOS003271433BIM-0046645.P001ST50929133Methyl 2-(3,6-dichloro-1-benzothiophene-2-carboxamido)-5-methylthiophene-3-carboxylatemethyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-5-methyl-3-thiophenecarboxylate
Show more names
methyl 2-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonylamino]-5-methylthiophene- 3-carboxylatemethyl 2-{[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]amino}-5-methylthiophene-3-carboxylate
Database identifiers
- CAS
6131-30-2- PubChem CID
- 2887271
- DTXSID
DTXSID80387341
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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