3-[3-(Phenylmethoxy)propyl]-5-isothiazolamine
Basic information
- CAS
118602-95-2- Standard SMILES
Nc1cc(CCCOCc2ccccc2)ns1- InChIKey
XCXYAJWRNPTBHZ-UHFFFAOYSA-N- Molecular formula
- C13H16N2OS
- Average molar mass
- 248.35 g/mol
- Monoisotopic mass
- 248.09833431
Names & identifiers
- Preferred name
- 3-[3-(Phenylmethoxy)propyl]-5-isothiazolamine
- IUPAC
- 3-(3-phenylmethoxypropyl)-1,2-thiazol-5-amine
Names & synonyms
3-[3-(Phenylmethoxy)propyl]-5-isothiazolamineSCHEMBL7441285DTXSID901251679118602-95-23-[3-(Benzyloxy)propyl]-1,2-thiazol-5-amine
Database identifiers
- CAS
118602-95-2- PubChem CID
- 14769841
- DTXSID
DTXSID901251679
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…