Basic information
- CAS
22059-41-2- Standard SMILES
NC(N)=NCCCSS(=O)(=O)O- InChIKey
KMRUMDCKCWFUAW-UHFFFAOYSA-N- Molecular formula
- C4H11N3O3S2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.02418321
Names & identifiers
- Preferred name
- Propanethiol, 3-guanidino-, hydrogen sulfate (ester)
- IUPAC
- 1-(diaminomethylideneamino)-3-sulfosulfanylpropane
- English name
- Thiosulfuric acid S-[3-[[amino(imino)methyl]amino]propyl] ester
- Molecular formula
- C4H11N3O3S2
- Molecular weight
- 213.28
Names & synonyms
Propanethiol, 3-guanidino-, hydrogen sulfate (ester)2-Guanidinopropylthiol hydrogen sulfate (ester)BRN 305003622059-41-2DTXSID30176545RefChem:374573DTXCID9099036S-{3-[(Diaminomethylidene)amino]propyl} hydrogen sulfurothioateThiosulfuric acid S-[3-[[amino(imino)methyl]amino]propyl] esterThiosulfuric acid (H2S2O3), S-[3-[(aminoiminomethyl)amino]propyl] ester
Database identifiers
- CAS
22059-41-2- PubChem CID
- 89583
- DTXSID
DTXSID30176545- Nikkaji
- J50.932I
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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