Basic information
- CAS
116915-10-7- Standard SMILES
O=S(=O)(O)SCCNCCCCOc1ccc(Cl)cc1Cl- InChIKey
SGWQAAWVDXLXNE-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO4S2
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 372.9976058
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-(2,4-dichlorophenoxy)butyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 2,4-dichloro-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Names & synonyms
Ethanethiol, 2-(4-(2,4-dichlorophenoxy)butyl)amino-, hydrogen sulfate (ester)21208-81-1RefChem:1084386BRN 2164439s-(2-{[4-(2,4-dichlorophenoxy)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID90922207S-2-((4-(o,p-Dichlorophenoxy)butyl)amino)ethyl thiosulfate2-((4-(o,p-Dichlorophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)116915-10-7
Database identifiers
- CAS
116915-10-7、21208-81-1- PubChem CID
- 210265
- DTXSID
DTXSID90922207- Nikkaji
- J87.736K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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