Basic information
- CAS
40283-53-2- Standard SMILES
NC(CSS(=O)(=O)O)=NC1CCCC1- InChIKey
HSQOAMOZLVFMKV-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3S2
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.04458466
Names & identifiers
- Preferred name
- Methanethiol, N-cyclopentylamidino-, hydrogen thiosulfate
- IUPAC
- [(1-amino-2-sulfosulfanylethylidene)amino]cyclopentane
Names & synonyms
Methanethiol, N-cyclopentylamidino-, hydrogen thiosulfate40283-53-2NSC 193462BRN 3959215S-((N-Cyclopentylamidino)methyl) hydrogen thiosulfateDTXSID30193272Thiosulfuric acid (H2S2O3), S-(2-(cyclopentylamino)-2-iminoethyl) esterThiosulfuric acid (H2S2O3), S-[2-(cyclopentylamino)-2-iminoethyl] esterRefChem:352466DTXCID40115763Thiosulfuric acid (H2S2O3), S-(2-(cyclopentylamino)-2-iminoethyl) ester (9CI)NSC-193462
Show more names
[(1-amino-2-sulfosulfanylethylidene)amino]cyclopentanes-[(2z)-2-amino-2-(cyclopentylimino)ethyl] hydrogen sulfurothioateLK9QH68QPENSC193462WR-6399
Database identifiers
- CAS
40283-53-2- PubChem CID
- 99729
- DTXSID
DTXSID30193272- UNII
- LK9QH68QPE
- Nikkaji
- J41.713K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…