Basic information
- CAS
40284-00-2- Standard SMILES
Cc1ccc(SCCN=C(N)CSS(=O)(=O)O)cc1- InChIKey
CZGYJVKTYKYBAG-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3S3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.03230537
Names & identifiers
- Preferred name
- Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
- IUPAC
- 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzene
- English name
- Thiosulfuric acid hydrogen S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] ester
- Molecular formula
- C11H16N2O3S3
- Molecular weight
- 320.45
Names & synonyms
Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfateNSC 18748640284-00-2DTXSID90193293Thiosulfuric acid S-[N-[2-p-tolylsulfanyl-ethyl]carbamimidoylmethyl]esterThiosulfuric acid, S-[2-[2-(4-methylphenylthio)ethylamino]-2-iminoethyl] esterThiosulfuric acid S-(N-(2-p-tolylsulfanyl-ethyl)carbamimidoylmethyl)esterThiosulfuric acid, S-(2-(2-(4-methylphenylthio)ethylamino)-2-iminoethyl) esterRefChem:352446DTXCID00115784CZGYJVKTYKYBAG-UHFFFAOYSA-NS-((N-(2-(p-Tolylthio)ethyl)amidino)methyl) hydrogen thiosulfate
Show more names
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzeneThiosulfuric acid hydrogen S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] ester
Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-((4-methylphenyl)thio)ethyl)amino)ethyl) esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] esterNSC187486NSC-187486S-[(2Z)-2-Amino-2-({2-[(4-methylphenyl)sulfanyl]ethyl}imino)ethyl] hydrogen sulfurothioateS-[2-Imino-2-((2-[(4-methylphenyl)sulfanyl]ethyl)amino)ethyl] hydrogen thiosulfate #
Database identifiers
- CAS
40284-00-2- PubChem CID
- 99138
- DTXSID
DTXSID90193293- Nikkaji
- J41.732G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -4.69 · -4.69±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…