Basic information
- CAS
40283-54-3- Standard SMILES
NC(CSS(=O)(=O)O)=NCC1CCCC1- InChIKey
JANNQSLLUJUMEN-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.06023437
Names & identifiers
- Preferred name
- Methanethiol, (N-cyclopentylmethyl)amidino-, hydrogen thiosulfate
- IUPAC
- [(1-amino-2-sulfosulfanylethylidene)amino]methylcyclopentane
- English name
- Thiosulfuric acid hydrogen S-[2-[(cyclopentylmethyl)amino]-2-iminoethyl] ester
- Molecular formula
- C8H16N2O3S2
- Molecular weight
- 252.35
Names & synonyms
40283-54-3S-((N-Cyclopentylmethylamidino)methyl) hydrogen thiosulfateBRN 3963087Methanethiol, (N-cyclopentylmethyl)amidino-, hydrogen thiosulfateDTXSID90193273RefChem:352437DTXCID00115764s-{(2z)-2-amino-2-[(cyclopentylmethyl)imino]ethyl} hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[(cyclopentylmethyl)amino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-[(cyclopentylmethyl)amino]-2-iminoethyl] ester
Database identifiers
- CAS
40283-54-3- PubChem CID
- 218151
- DTXSID
DTXSID90193273- Nikkaji
- J41.714I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- 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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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