Basic information
- CAS
101018-80-8- Standard SMILES
CCCCn1c(CN2CCCCC2)nc2c(=O)sc3ccccc3c21- InChIKey
APKDNAHEMGOTMQ-UHFFFAOYSA-N- Molecular formula
- C20H25N3OS
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.1718336
Names & identifiers
- Preferred name
- (1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-
- IUPAC
- 1-butyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one
- English name
- (1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-
- Molecular formula
- C20H25N3OS
- Molecular weight
- 355.5
Names & synonyms
101018-80-8(1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLMETHYL)-DTXSID80143666[1]Benzothiopyrano[3,4-d]imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-RefChem:1049158DTXCID6066157BRN 56225881-Butyl-2-(1-piperidinylmethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-one1-butyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-oneNIOSH/DL9829660(1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-DL98296600
Show more names
1-Butyl-2-(piperidinomethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-one(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-2-(piperidinomethyl)-1-Butyl-2-[(piperidin-1-yl)methyl][1]benzothiopyrano[3,4-d]imidazol-4(1H)-one
Database identifiers
- CAS
101018-80-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 547.7 · 547.7±46.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 7.84 · 7.84±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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