Basic information
- CAS
20036-97-9- Standard SMILES
CC(=O)Nc1sc2c(c1C#N)CCCC2- InChIKey
PMJUHOMXJHGRKV-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
- IUPAC
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
- English name
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
- Molecular formula
- C11H12N2OS
- Molecular weight
- 220.29
Names & synonyms
20036-97-9N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamideN-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamideCHEMBL1412798acetamide, n-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamideMFCD00266039NSC153320CBMicro_004847Cambridge id 5107418MLS000523632SCHEMBL3277689
Show more names
DTXSID60942038HMS2368B10ALBB-020536N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamideSMSF0003288BDBM50365987EBC-03619SBB017243
Database identifiers
- CAS
20036-97-9- PubChem CID
- 290230
- DTXSID
DTXSID60942038- ChEMBL
CHEMBL1412798
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 222 · 222-224 °C(Solv: ethyl acetate (141-78-6); cyclohexane (110-82-7))
- Boiling point
- 469.1 · 469.1±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.20(Predicted)
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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