Basic information
- CAS
240797-82-4- Standard SMILES
O=Cc1ccc(N2CCSCCOCCOCCSCC2)cc1- InChIKey
HCRKYTPMZCOFDV-UHFFFAOYSA-N- Molecular formula
- C17H25NO3S2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.12758601
Names & identifiers
- Preferred name
- Benzaldehyde, 4-(1,4-dioxa-7,13-dithia-10-azacyclopentadec-10-yl)-
- IUPAC
- 4-(1,4-dioxa-7,13-dithia-10-azacyclopentadec-10-yl)benzaldehyde
Names & synonyms
240797-82-4DTXSID60478322Benzaldehyde, 4-(1,4-dioxa-7,13-dithia-10-azacyclopentadec-10-yl)-RefChem:321185DTXCID604291324-(1,4-DIOXA-7,13-DITHIA-10-AZACYCLOPENTADECAN-10-YL)BENZALDEHYDE
Database identifiers
- CAS
240797-82-4- PubChem CID
- 12138317
- DTXSID
DTXSID60478322- Nikkaji
- J2.475.249F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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