Hexane-1,6-diyl dicarbamimidothioate
Basic information
- CAS
58479-97-3- Standard SMILES
N=C(N)SCCCCCCSC(=N)N- InChIKey
DYGQVQHELWCVGV-UHFFFAOYSA-N- Molecular formula
- C8H18N4S2
- Average molar mass
- 234.4 g/mol
- Monoisotopic mass
- 234.09728894
Names & identifiers
- Preferred name
- Hexane-1,6-diyl dicarbamimidothioate
- IUPAC
- 6-carbamimidoylsulfanylhexyl carbamimidothioate
Names & synonyms
hexane-1,6-diyl dicarbamimidothioate58479-97-3DTXSID90974024RefChem:1086583DTXCID301401462CHEMBL102640Urea, 1,1'-hexamethylenebis(2-thio-Carbamimidothioic acid, 1,6-hexanediyl esterVUF 8336SKF 91729BRN 17841444-03-00-00369 (Beilstein Handbook Reference)
Show more names
BDBM50032511NS000557602-(6-Carbamimidoylsulfanyl-hexyl)-isothiourea
Database identifiers
- CAS
58479-97-3- PubChem CID
- 113306
- DTXSID
DTXSID90974024- ChEMBL
CHEMBL102640- Nikkaji
- J343.018I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
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Related reactions
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Compound notes
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