4-(Carbamimidoylsulfanyl)butanoic acid--hydrogen bromide (1/1)
Basic information
- CAS
64037-77-0- Standard SMILES
NC(=[NH2+])SCCCC(=O)O.[Br-]- InChIKey
NNLFHGPHUOOBEZ-UHFFFAOYSA-N- Molecular formula
- C5H11BrN2O2S
- Average molar mass
- 243.12 g/mol
- Monoisotopic mass
- 241.97246
Names & identifiers
- Preferred name
- 4-(Carbamimidoylsulfanyl)butanoic acid--hydrogen bromide (1/1)
- IUPAC
- [amino(3-carboxypropylsulfanyl)methylidene]azanium bromide
Names & synonyms
DTXSID609820304-(Carbamimidoylsulfanyl)butanoic acid--hydrogen bromide (1/1)RefChem:1070059DTXCID4014092954-(Amidinothio)butyric acid, monohydrobromide64037-77-0BUTYRIC ACID, 4-(AMIDINOTHIO)-, MONOHYDROBROMIDENSC 231594
Database identifiers
- CAS
64037-77-0- PubChem CID
- 46442
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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