Basic information
- CAS
40283-61-2- Standard SMILES
NC(CSS(=O)(=O)O)=NCC1CCCCCC1- InChIKey
SCKFQSRDBBHBAR-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.0915345
Names & identifiers
- Preferred name
- Methanethiol, (N-cycloheptylmethyl)amidino-, hydrogen sulfate (ester)
- IUPAC
- [(1-amino-2-sulfosulfanylethylidene)amino]methylcycloheptane
- English name
- Thiosulfuric acid hydrogen S-[2-[(cycloheptylmethyl)amino]-2-iminoethyl] ester
- Molecular formula
- C10H20N2O3S2
- Molecular weight
- 280.41
Names & synonyms
S-((N-Cycloheptylmethylamidino)methyl) hydrogen thiosulfateBRN 396895140283-61-2Methanethiol, (N-cycloheptylmethyl)amidino-, hydrogen sulfate (ester)DTXSID50193279RefChem:352430DTXCID10115770s-{(2z)-2-amino-2-[(cycloheptylmethyl)imino]ethyl} hydrogen sulfurothioateSCKFQSRDBBHBAR-UHFFFAOYSA-NThiosulfuric acid S-[[cycloheptylmethyl]amidino]methyl esterMethanethiol, (N-cycloheptylmethyl)amidino-, hydrogen sulfateS-(2-[(Cycloheptylmethyl)amino]-2-iminoethyl) hydrogen thiosulfate #
Show more names
Thiosulfuric acid hydrogen S-[2-[(cycloheptylmethyl)amino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-[(cycloheptylmethyl)amino]-2-iminoethyl] ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -4.67 · -4.67±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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