Basic information
- CAS
2458-59-5- Standard SMILES
NC(N)=NCCCS- InChIKey
ZDCHJYOJRXOAAO-UHFFFAOYSA-N- Molecular formula
- C4H11N3S
- Average molar mass
- 133.22 g/mol
- Monoisotopic mass
- 133.06736854
Names & identifiers
- Preferred name
- Guanidine, (3-mercaptopropyl)-
- IUPAC
- 2-(3-sulfanylpropyl)guanidine
Names & synonyms
Guanidine, (3-mercaptopropyl)-(3-Mercaptopropyl)guanidine2458-59-5DTXSID00179321RefChem:346762DTXCID30101812mercaptopropyl-guanidineSCHEMBL6338399SCHEMBL6338404SCHEMBL6625360AKOS006340281N''-(3-SULFANYLPROPYL)GUANIDINE
Database identifiers
- CAS
2458-59-5- PubChem CID
- 38671
- DTXSID
DTXSID00179321- Nikkaji
- J723.861D
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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