Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)
Basic information
- CAS
22059-34-3- Standard SMILES
CCNC(N)=NCCSS(=O)(=O)O- InChIKey
MZRMNCMJRSKSTF-UHFFFAOYSA-N- Molecular formula
- C5H13N3O3S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.03983363
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)
- IUPAC
- 1-[[amino(ethylamino)methylidene]amino]-2-sulfosulfanylethane
Names & synonyms
22059-34-3Ethanethiol, 2-(3-ethyl)guanidino-, hydrogen sulfate (ester)RefChem:10843852-(3-Ethyl)guanidinoethanethiol hydrogen sulfate (ester)BRN 3052450BRN 30524512-(1-Ethyl)guanidinoethanethiol hydrogen sulfate (ester)DTXSID10944683Ethanethiol, 2-(1-ethyl)guanidino-, hydrogen sulfate (ester)S-[2-(N'-Ethylcarbamimidamido)ethyl] hydrogen sulfurothioateS-{2-[(N-Ethylcarbamimidoyl)amino]ethyl} hydrogen sulfurothioate22059-37-6
Database identifiers
- CAS
22059-34-3、22059-37-6- PubChem CID
- 90723
- DTXSID
DTXSID10944683- Nikkaji
- J49.746K
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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