Pseudourea, 2-decyl-1,3-diethyl-2-thio-, hydrochloride
Basic information
- CAS
5339-42-4- Standard SMILES
CCCCCCCCCCSC(=NCC)NCC.Cl- InChIKey
VAVOKVWVIRNHFC-UHFFFAOYSA-N- Molecular formula
- C15H33ClN2S
- Average molar mass
- 309 g/mol
- Monoisotopic mass
- 308.2052979
Names & identifiers
- Preferred name
- Pseudourea, 2-decyl-1,3-diethyl-2-thio-, hydrochloride
- IUPAC
- decyl N,N'-diethylcarbamimidothioate;hydrochloride
Names & synonyms
NSC 3517Pseudourea, 2-decyl-1,3-diethyl-2-thio-, hydrochloride5339-42-42-Decyl-1,3-diethyl-2-thiopseudourea hydrochloridePseudourea, 2-decyl-1,3-diethyl-2-thio-, monohydrochlorideDTXSID60201551RefChem:375770DTXCID90124042Pseudourea, 2-decyl-1,3-diethyl-2-thio-, monohydrochloride (8CI)NSC3517WLN: 10SYM2&UN2 &GHNSC-3517
Show more names
Pseudourea,3-diethyl-2-thio-, hydrochloridePseudourea,3-diethyl-2-thio-, monohydrochlorideDecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
5339-42-4- PubChem CID
- 79268
- DTXSID
DTXSID60201551
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
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Compound notes
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