Basic information
- Standard SMILES
O=c1[nH]c(=O)n(CCCCCCS)c(=O)[nH]1- InChIKey
IPMMKYVYQPAGCN-UHFFFAOYSA-N- Molecular formula
- C9H15N3O3S
- Average molar mass
- 245.3 g/mol
Names & identifiers
- Preferred name
- Mercaptohexyl Isocyanuric Acid
- IUPAC
- 1-(6-sulfanylhexyl)-1,3,5-triazinane-2,4,6-trione
Names & synonyms
Mercaptohexyl Isocyanuric AcidSCHEMBL37075086-mercaptohexyl isocyanuric acidIPMMKYVYQPAGCN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86659552
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
2 records
Compound notes
Loading…