Basic information
- CAS
40283-55-4- Standard SMILES
NC(CSS(=O)(=O)O)=NC1CCCCC1- InChIKey
DSKDIOZEEJPDAJ-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.06023472
Names & identifiers
- Preferred name
- Methanethiol, (N-cyclohexyl)amidino-, hydrogen sulfate (ester)
- IUPAC
- [(1-amino-2-sulfosulfanylethylidene)amino]cyclohexane
- English name
- Thiosulfuric acid hydrogen S-[2-(cyclohexylamino)-2-iminoethyl] ester
- Molecular formula
- C8H16N2O3S2
- Molecular weight
- 252.35
Names & synonyms
40283-55-4Methanethiol, (N-cyclohexyl)amidino-, hydrogen sulfate (ester)NSC 194277BRN 3963086S-((N-Cyclohexylamidino)methyl) hydrogen thiosulfateDTXSID50193274Thiosulfuric acid (H2S2O3), S-(2-(cyclohexylamino)-2-iminoethyl) esterThiosulfuric acid (H2S2O3), S-[2-(cyclohexylamino)-2-iminoethyl] esterRefChem:352431DTXCID60115765Thiosulfuric acid (H2S2O3), S-(2-(cyclohexylamino)-2-iminoethyl) ester (9CI)NSC194277
Show more names
Thiosulfuric acid hydrogen S-[2-(cyclohexylamino)-2-iminoethyl] ester
NSC-194277[(1-amino-2-sulfosulfanylethylidene)amino]cyclohexaneLJU2PD5PNJWR-3319[(2-sulfosulfanylethanimidoyl)amino]cyclohexaneS-(2-(Cyclohexylamino)-2-iminoethyl) hydrogen thiosulfateS-[(2Z)-2-amino-2-(cyclohexylimino)ethyl] hydrogen sulfurothioateThiosulfuric acid (H2S2O3), {S-[2-(cyclohexylamino)-2-iminoethyl]} ester
Database identifiers
- CAS
40283-55-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -4.68 · -4.68±0.30(Predicted)
- FDA UNII
- 2 PD5PNJ · LJU2PD5PNJ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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