Basic information
- CAS
3544-29-4- Standard SMILES
CCCCCCCCSC(=N)N.Cl- InChIKey
NDQKEVRWEXNJCO-UHFFFAOYSA-N- Molecular formula
- C9H21ClN2S
- Average molar mass
- 224.8 g/mol
- Monoisotopic mass
- 224.1113975
Names & identifiers
- Preferred name
- Carbamimidothioic acid, octyl ester, hydrochloride (1:1)
- IUPAC
- octyl carbamimidothioate;hydrochloride
Names & synonyms
3544-29-4Pseudourea, 2-octyl-2-thio-, monohydrochlorideDTXSID10188924RefChem:1080999DTXCID70111415Carbamimidothioic acid, octyl ester, hydrochloride (1:1)Octylthiouronium chlorideOctylthiuronium chlorideS-Octylthiuronium chlorideUSAF PD-16S-Octylisothiourea hydrochloride2-Octyl-2-thiopseudourea monohydrochloride
Database identifiers
- CAS
3544-29-4- PubChem CID
- 77083
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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