S-Dodecyl thiouronium
Basic information
- CAS
3482-54-0- Standard SMILES
CCCCCCCCCCCCSC(N)=[NH2+].[Cl-]- InChIKey
FPVQTRAZCRXBRH-UHFFFAOYSA-N- Molecular formula
- C13H29ClN2S
- Average molar mass
- 280.9 g/mol
- Monoisotopic mass
- 280.1739978
Overview
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Names & identifiers
- Preferred name
- S-Dodecyl thiouronium
- IUPAC
- [amino(dodecylsulfanyl)methylidene]azanium chloride
- English name
- S-dodecyl thiouronium
- Molecular formula
- C13H29N2S.Cl
- Molecular weight
- 280.9
Names & synonyms
S-Dodecyl thiouroniumS-Dodecyl thiouronium chloride86341-83-5Sulfonium, (diaminomethylene)dodecyl-, chloride[amino(dodecylsulfanyl)methylidene]azanium;chlorideSCHEMBL7046636Amino(dodecylsulfanyl)methaniminium chloride
Database identifiers
- CAS
3482-54-0、86341-83-5- PubChem CID
- 3036280
- DTXSID
DTXSID00188357
Properties
Computed structural properties
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
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Compound notes
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