Basic information
- CAS
40283-99-6- Standard SMILES
NC(CSS(=O)(=O)O)=NCCSc1ccc(Cl)cc1- InChIKey
FFDZEZLZHNZTBO-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O3S3
- Average molar mass
- 340.9 g/mol
- Monoisotopic mass
- 339.97768296
Names & identifiers
- Preferred name
- Methanethiol, N-(2-(p-chlorophenylthio)ethyl)amidino-, hydrogen sulfate (ester)
- IUPAC
- 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-chlorobenzene
- English name
- Thiosulfuric acid hydrogen S-[2-[[2-[(4-chlorophenyl)thio]ethyl]amino]-2-iminoethyl] ester
- Molecular weight
- 0
Names & synonyms
40283-99-6NSC 187498Methanethiol, N-(2-(p-chlorophenylthio)ethyl)amidino-, hydrogen sulfate (ester)DTXSID30193292S-((N-(2-(p-Chlorophenylthio)ethyl)amidino)methyl) hydrogen thiosulfateThiosulfuric acid (H2S2O3), S-(2-((2-((4-chlorophenyl)thio)ethyl)amino)-2-iminoethyl) esterThiosulfuric acid (H2S2O3), S-[2-[[2-[(4-chlorophenyl)thio]ethyl]amino]-2-iminoethyl] esterRefChem:352445DTXCID40115783Thiosulfuric acid (H2S2O3), S-(2-((2-((4-chlorophenyl)thio)ethyl)amino)-2-iminoethyl) ester (9CI)NSC187498s-[(2z)-2-amino-2-({2-[(4-chlorophenyl)sulfanyl]ethyl}imino)ethyl] hydrogen sulfurothioate
Show more names
Thiosulfuric acid hydrogen S-[2-[[2-[(4-chlorophenyl)thio]ethyl]amino]-2-iminoethyl] ester
NSC-1874981-chloro-4-[2-[(2-sulfosulfanylethanimidoyl)amino]ethylsulfanyl]benzeneS-(2-((2-((4-Chlorophenyl)thio)ethyl)amino)-2-iminoethyl) hydrogen thiosulfateThiosulfuric acid (H2S2O3), {S-[2-[[2-[(4-chlorophenyl)thio]ethyl]amino]-2-iminoethyl]} ester
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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