Basic information
- CAS
130365-35-4- Standard SMILES
CCCCCCCCCCCCCCCNP1(=S)OCc2cc([N+](=O)[O-])ccc2O1- InChIKey
FGYRTSTYZUABEV-UHFFFAOYSA-N- Molecular formula
- C22H37N2O4PS
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.22116584
Names & identifiers
- Preferred name
- 6-Nitro-2-(pentadecylamino)-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
- IUPAC
- 6-nitro-N-pentadecyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
- English name
- 6-Nitro-N-pentadecyl-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide
- Molecular formula
- C22H37N2O4PS
- Molecular weight
- 456.58
Names & synonyms
130365-35-4DTXSID809266986-Nitro-2-(pentadecylamino)-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thioneRefChem:1074095DTXCID2013555056-Nitro-N-pentadecyl-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide4H-1,3,2-Benzodioxaphosphorin-2-amine, 6-nitro-N-pentadecyl-, 2-sulfide6-nitro-N-pentadecyl-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Database identifiers
- CAS
130365-35-4- PubChem CID
- 3076151
- DTXSID
DTXSID80926698
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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