Methanethiol, N-isopentylamidino-, hydrogen thiosulfate
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Basic information
- CAS
40283-51-0- Standard SMILES
CC(C)CCN=C(N)CSS(=O)(=O)O- InChIKey
JSSDFKSULXLETE-UHFFFAOYSA-N- Molecular formula
- C7H16N2O3S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.06023437
Names & identifiers
- Preferred name
- Methanethiol, N-isopentylamidino-, hydrogen thiosulfate
- IUPAC
- 1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methylbutane
- English name
- Thiosulfuric acid hydrogen S-[2-imino-2-[(3-methylbutyl)amino]ethyl] ester
- Molecular formula
- C7H16N2O3S2
- Molecular weight
- 240.34
Names & synonyms
40283-51-0S-((N-Isopentylamidino)methyl) hydrogen thiosulfateMethanethiol, N-isopentylamidino-, hydrogen thiosulfateRefChem:352468DTXSID90960689S-{2-Imino-2-[(3-methylbutyl)amino]ethyl} hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-imino-2-[(3-methylbutyl)amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[(3-methylbutyl)amino]ethyl] ester
Database identifiers
- CAS
40283-51-0- PubChem CID
- 218150
- DTXSID
DTXSID90960689- Nikkaji
- J41.724F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -4.68 · -4.68±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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