butyl N-(2-carbamimidoylsulfanylethyl)carbamate
Basic information
- CAS
6345-35-3- Standard SMILES
CCCCOC(=O)NCCSC(=N)N- InChIKey
XINLJIOBKOXRND-UHFFFAOYSA-N- Molecular formula
- C8H17N3O2S
- Average molar mass
- 219.31 g/mol
- Monoisotopic mass
- 219.10414797
Names & identifiers
- Preferred name
- butyl N-(2-carbamimidoylsulfanylethyl)carbamate
- IUPAC
- butyl N-(2-carbamimidoylsulfanylethyl)carbamate
Names & synonyms
6345-35-3butyl N-(2-carbamimidoylsulfanylethyl)carbamateDTXSID40328679Butyl [2-(carbamimidoylsulfanyl)ethyl]carbamate
Database identifiers
- CAS
6345-35-3- PubChem CID
- 413041
- DTXSID
DTXSID40328679
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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