Basic information
- CAS
101018-79-5- Standard SMILES
Cn1c(CN2CCCCC2)nc2c(=O)sc3ccccc3c21- InChIKey
XLHLSNWHPWPAOF-UHFFFAOYSA-N- Molecular formula
- C17H19N3OS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12488341
Names & identifiers
- Preferred name
- (1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-2-(1-piperidinylmethyl)-
- IUPAC
- 1-methyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one
- English name
- (1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-
- Molecular formula
- C17H19N3OS
- Molecular weight
- 313.42
Names & synonyms
101018-79-5(1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYLMETHYL)-DTXSID20143665RefChem:1049159DTXCID1066156BRN 55949811-methyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one1-Methyl-2-(1-piperidinylmethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-oneNIOSH/DL9829760(1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-DL982976001-Methyl-2-(piperidinomethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-one
Show more names
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-2-(piperidinomethyl)-1-Methyl-2-[(piperidin-1-yl)methyl][1]benzothiopyrano[3,4-d]imidazol-4(1H)-one
Database identifiers
- CAS
101018-79-5- PubChem CID
- 58150
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…