Basic information
- CAS
332146-11-9- Standard SMILES
Cc1cc(C=O)c(C)n1-c1sc2c(c1C#N)CCCC2- InChIKey
DHPZPLNTUVUGSR-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.09833431
Names & identifiers
- Preferred name
- 2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
- IUPAC
- 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
- English name
- 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
- Molecular formula
- C16H16N2OS
- Molecular weight
- 284.37604
Names & synonyms
332146-11-92-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrileOprea1_175713Oprea1_561007STK364851AKOS000113750SB63101CS-0119004ST50937218AG-690/13203049
Show more names
SR-01000311562SR-01000311562-12-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile2-(3-formyl-2,5-dimethylpyrrolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbon itrile
Database identifiers
- CAS
332146-11-9- PubChem CID
- 773512
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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