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Basic information
- Standard SMILES
N=C(N)SCCCSC(=N)N- InChIKey
LEJAROVVOZZNSE-UHFFFAOYSA-N- Molecular formula
- C5H12N4S2
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.05033875
Names & identifiers
- Preferred name
- 1,3-Propanediyl bis(imidothiocarbamate)
- IUPAC
- 3-carbamimidoylsulfanylpropyl carbamimidothioate
Names & synonyms
1,3-propanediyl bis(imidothiocarbamate)
Database identifiers
- PubChem CID
- 79512
- Nikkaji
- J231.938A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
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Compound notes
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