Basic information
- CAS
18545-48-7- Standard SMILES
CCCCSP(=O)(N(C)C)N(C)C- InChIKey
RQAYRFMBTPCBDI-UHFFFAOYSA-N- Molecular formula
- C8H21N2OPS
- Average molar mass
- 224.31 g/mol
- Monoisotopic mass
- 224.11122147
Names & identifiers
- Preferred name
- Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester
- IUPAC
- N-[butylsulfanyl(dimethylamino)phosphoryl]-N-methylmethanamine
- English name
- N,N,N',N'-Tetramethyldiamidothiophosphoric acid=S-butyl ester
- Molecular formula
- C8H21N2OPS
- Molecular weight
- 224.31
Names & synonyms
SD-10268Phosphorodiamidothioic acid, tetramethyl-, S-butyl esterJC68TLT67TENT 27,325NSC 190925BRN 2044033AI3-27325NSC-190925DTXSID50171779RefChem:202619DTXCID1094270Shell SD-10268
Show more names
ENT-27325N,N,N',N'-Tetramethyldiamidothiophosphoric acid=S-butyl ester
18545-48-7S-Butyl tetramethylphosphorodiamidothioateUNII-JC68TLT67TS-butyl N,N,N',N'-tetramethylphosphorodiamidothioate
Database identifiers
- CAS
18545-48-7- PubChem CID
- 87701
- DTXSID
DTXSID50171779- UNII
- JC68TLT67T
- Nikkaji
- J34.651I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 91 °C · 91 °C(Press: 0.1 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.25 · 1.250±0.70(predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 68 TLT67T · JC68TLT67T
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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