Basic information
- CAS
78219-00-8- Standard SMILES
NCC(N)CSP(=O)(O)O- InChIKey
TXLJMOJYKYDULH-UHFFFAOYSA-N- Molecular formula
- C3H11N2O3PS
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.02280039
Names & identifiers
- Preferred name
- S-(2,3-Diaminopropyl) dihydrogen phosphorothioate
- IUPAC
- 2,3-diaminopropylsulfanylphosphonic acid
Names & synonyms
78219-00-8DTXSID70999492S-(2,3-Diaminopropyl) dihydrogen phosphorothioateRefChem:1098210DTXCID301426464S-2,3-Diaminopropyl dihydrogen phosphorothioatePhosphorothioic acid, S-2,3-diaminopropyl esterBRN 2436288CHEMBL3247434TXLJMOJYKYDULH-UHFFFAOYSA-NPropylthiophosphonic acid, 2,3-diamino-S-(2,3-Diaminopropyl) dihydrogen thiophosphate #
Database identifiers
- CAS
78219-00-8- PubChem CID
- 522700
- DTXSID
DTXSID70999492- ChEMBL
CHEMBL3247434- Nikkaji
- J96.911G
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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