Basic information
- CAS
2986-30-3- Standard SMILES
N=C(N)SCCCO- InChIKey
KLWXNJOZYMKOGZ-UHFFFAOYSA-N- Molecular formula
- C4H10N2OS
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.05138412
Names & identifiers
- Preferred name
- 3-Hydroxypropyl carbamimidothioate
- IUPAC
- 3-hydroxypropyl carbamimidothioate
Names & synonyms
3-hydroxypropyl carbamimidothioateSCHEMBL9191747DTXSID701298285AKOS0063610592986-30-3
Database identifiers
- CAS
2986-30-3- PubChem CID
- 85294
- DTXSID
DTXSID701298285
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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