Basic information
- CAS
25408-91-7- Standard SMILES
CCCCOP(=O)(O)OCCCC.CCCCSC(=N)N- InChIKey
SUDLUXBNOZCRIJ-UHFFFAOYSA-N- Molecular formula
- C13H31N2O4PS
- Average molar mass
- 342.44 g/mol
- Monoisotopic mass
- 342.17421565
Names & identifiers
- Preferred name
- Pseudourea, 2-butyl-2-thio-, dibutylphosphate
- IUPAC
- butyl carbamimidothioate;dibutyl hydrogen phosphate
Names & synonyms
Dibutylphosphate S-butyl-isothiuroniumPseudourea, 2-butyl-2-thio-, dibutylphosphate2-Butyl-2-thiopseudourea dibutylphosphate25408-91-7DTXSID10180069RefChem:375769DTXCID70102560SCHEMBL2790028Butyl carbamimidothioate--dibutyl hydrogen phosphate (1/1)
Database identifiers
- CAS
25408-91-7- PubChem CID
- 212932
- DTXSID
DTXSID10180069
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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