Basic information
- CAS
63732-25-2- Standard SMILES
CCC(C)(N=C(N)N)SS(=O)(=O)O- InChIKey
PWXJQGBYJSUDHM-UHFFFAOYSA-N- Molecular formula
- C5H13N3O3S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.03983363
Names & identifiers
- Preferred name
- 2-Butanethiol, 2-guanidino-, hydrogen sulfate (ester)
- IUPAC
- 2-(diaminomethylideneamino)-2-sulfosulfanylbutane
- English name
- 2-Guanidino-2-butanethiol sulfate
- Molecular formula
- C5H13N3O3S2
- Molecular weight
- 227.3
Names & synonyms
63732-25-22-BUTANETHIOL, 2-GUANIDINO-, HYDROGEN SULFATE (ester)RefChem:1062510Guanidino-sec-butylthiol hydrogen sulfate (ester)DTXSID10980203S-(2-Carbamimidamidobutan-2-yl) hydrogen sulfurothioateS-[2-(Carbamimidoylamino)butan-2-yl] hydrogen sulfurothioate2-Guanidino-2-butanethiol sulfateThiosulfuric acid (H2S2O3), S-[1-[(aminoiminomethyl)amino]-1-methylpropyl] ester
Database identifiers
- CAS
63732-25-2- PubChem CID
- 44659
- DTXSID
DTXSID10980203- Nikkaji
- J64.662H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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