Ethyl 3-hydrazinyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
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Basic information
- CAS
172516-47-1- Standard SMILES
CCOC(=O)c1sc(NN)c2c1CC(C)(C)CC2=O- InChIKey
SSVVNXWELGGFAF-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.10381361
Names & identifiers
- Preferred name
- Ethyl 3-hydrazinyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
- IUPAC
- ethyl 3-hydrazinyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
- English name
- ETHYL 6,6-DIMETHYL-3-HYDRAZINO-4-OXO-4,5,6,7-TETRAHYDROBENZO(C)THIOPHENE-1-CARBOXYLATE, TECH.
- Molecular formula
- C13H18N2O3S
- Molecular weight
- 282.36
Names & synonyms
172516-47-1Ethyl 3-hydrazinyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylateEthyl 3-hydrazinyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylateethyl 3-hydrazinyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylateEthyl 6,6-dimethyl-3-hydrazino-4-oxo-4,5,6,7-tetrahydrobenzo(c)thiophene-1-carboxylate, tech.SCHEMBL6484408DTXSID80570514DB-351484Ethyl 6,6-dimethyl-3-hydrazino-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-+Benzo[c]thiophene-1-carboxylic acid, 3-hydrazinyl-4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-, ethyl ester
Database identifiers
- CAS
172516-47-1- PubChem CID
- 15254591
- DTXSID
DTXSID80570514- Nikkaji
- J732.708K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
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Compound notes
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