Basic information
- CAS
38914-43-1- Standard SMILES
O=S(=O)(O)SCCNCCCCc1ccc(Br)cc1- InChIKey
SOQAFXLICCWPLR-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO3S2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 366.99115
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-(p-bromophenyl)butyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 1-bromo-4-[4-(2-sulfosulfanylethylamino)butyl]benzene
- English name
- 2-((4-(p-Bromophenyl)butyl)amino)ethanethiol, hydrogen sulfate (ester)
- Molecular weight
- 0
Names & synonyms
BRN 298829738914-43-12-((4-(p-Bromophenyl)butyl)amino)ethanethiol, hydrogen sulfate (ester)Ethanethiol, 2-((4-(p-bromophenyl)butyl)amino)-, hydrogen sulfate (ester)RefChem:340297s-(2-{[4-(4-bromophenyl)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID309596932-[[4-(4-Bromophenyl)butyl]amino]ethanethiol sulfate
Database identifiers
- CAS
38914-43-1- PubChem CID
- 217430
- DTXSID
DTXSID30959693- Nikkaji
- J43.012I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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