Basic information
- CAS
51253-51-1- Standard SMILES
CCCCCCCCCCCCSC(=N)N- InChIKey
KIRRTPIRNCBRPG-UHFFFAOYSA-N- Molecular formula
- C13H28N2S
- Average molar mass
- 244.44 g/mol
- Monoisotopic mass
- 244.19732008
Names & identifiers
- Preferred name
- Dodecyl carbamimidothioate
- IUPAC
- dodecyl carbamimidothioate
- English name
- Dodecylthioformamidine
- Molecular formula
- C13H28N2S
- Molecular weight
- 244.44
Names & synonyms
dodecyl carbamimidothioate51253-51-1DTXSID40275750RefChem:339504DTXCID40202687dodecylthiocarboxamidineS-dodecyl isothioureadodecyl imidothiocarbamatedodecylsulfanyl-formamidineSCHEMBL9840999SBB051618STL433181
Show more names
DodecylthioformamidineCarbamimidothioic acid dodecyl ester
AKOS009159191ST4150661dodecyl carbamimidothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
51253-51-1- PubChem CID
- 77031
- DTXSID
DTXSID40275750- Nikkaji
- J238.524D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 342.6 · 342.6±25.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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