N,N'''-(Dithiodi-2,1-ethanediyl)bis(guanidine)
Basic information
- CAS
1072-13-5- Standard SMILES
NC(N)=NCCSSCCN=C(N)N- InChIKey
IRMTXMJNHRISQH-UHFFFAOYSA-N- Molecular formula
- C6H16N6S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.08778688
Overview
bifunctional cation; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- N,N'''-(Dithiodi-2,1-ethanediyl)bis(guanidine)
- IUPAC
- 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine
- English name
- Guanidinoethyl disulfide
- Molecular formula
- C6H16N6S2
- Molecular weight
- 236.36
Names & synonyms
Bis(2-guanidinoethyl)disulfideN,N'''-(DITHIODI-2,1-ETHANEDIYL)BIS(GUANIDINE)RefChem:9263901072-13-52-Guanidinoethyl disulfideGuanidine, 1,1'-(dithiodiethylene)di-Guanidinoethyl DisulfideGuanylcystamineON58WN42P22-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidineGuanidinoethyl disulfide dihydrobromideLopac-G-4788
Show more names
GEDGED dihydrobromideguanidoethyldisulfideguanidinoethyldisulfide2-guanidinoethyldisulfidebis(2-guanidoethyl)disulphideBis(2-guanidinoethyl) persulfide1,1’-(dithiodiethylene)di-guanidin
Lopac0_000490DTXSID40910255HSCI1_000328CCG-204581NCGC00015473-01N,N'-[Disulfanediyldi(ethane-2,1-diyl)]diguanidineBRD-K69191882-065-01-6
Database identifiers
- CAS
1072-13-5- PubChem CID
- 3521
- DTXSID
DTXSID40910255- ChEMBL
CHEMBL1255783
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Density
- 1.2 · 1.200 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 58 WN42P2 · ON58WN42P2
- RTECS
- 1310000 · MF1310000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- MF1310000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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