Basic information
- CAS
5412-04-4- Standard SMILES
CCCCCCCCCCCCSC(=NC)NC.Cl- InChIKey
KZRZJGGNEMBXSG-UHFFFAOYSA-N- Molecular formula
- C15H33ClN2S
- Average molar mass
- 309 g/mol
- Monoisotopic mass
- 308.2052979
Names & identifiers
- Preferred name
- Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride
- IUPAC
- dodecyl N,N'-dimethylcarbamimidothioate;hydrochloride
Names & synonyms
NSC 44135412-04-4Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydrochloride2-Dodecyl-1,3-dimethyl-2-thiopseudourea hydrochlorideDTXSID20202463Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochlorideCarbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride (9CI)RefChem:332782DTXCID20124954NSC-4413LC3XF434H4NSC4413
Show more names
WLN: 12SYM1&UN1 &GHPseudourea,3-dimethyl-2-thio-, hydrochlorideDodecyl N,N'-dimethylcarbamimidothioate--hydrogen chloride (1/1)Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, hydrochloride (1:1)Carbamimidothioic acid,N'-dimethyl-, dodecyl ester, monohydrochloride
Database identifiers
- CAS
5412-04-4- PubChem CID
- 79430
- DTXSID
DTXSID20202463- UNII
- LC3XF434H4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…