Basic information
- CAS
3752-51-0- Standard SMILES
CCCCCCCCCCNCCSS(=O)(=O)O- InChIKey
BWZPDRUAQQXBIL-UHFFFAOYSA-N- Molecular formula
- C12H27NO3S2
- Average molar mass
- 297.5 g/mol
- Monoisotopic mass
- 297.14323607
Names & identifiers
- Preferred name
- Ethanethiol, 2-decylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)decane
- English name
- 2-Decylaminoethanethiol sulfate
- Molecular weight
- 0
Names & synonyms
3752-51-01-(2-sulfosulfanylethylamino)decaneEthanethiol, 2-decylamino-, hydrogen sulfate (ester)Thiosulfuric acid, S-[2-(decylamino)ethyl] esterNSC-320931QJ2K322DETDTXSID70190962Thiosulfuric acid, S-(2-(decylamino)ethyl) esterWR-1607Thiosulfuric acid (H2S2O3), S-(2-(decylamino)ethyl) esterThiosulfuric acid (H2S2O3), S-[2-(decylamino)ethyl] esterRefChem:1084396
Show more names
2-Decylaminoethanethiol sulfate
DTXCID10113453n-Decylaminoethanethiosulfuric acid2-(1-Decylamino)ethanethiosulfuric acidWR 16072-(n-Decylamino)-ethanethiosulfuric acidThiosulfuric acid(H2S2O3), S-(2-(decylamino)ethyl) esterNSC 320931BRN 2370356
Database identifiers
- CAS
3752-51-0- PubChem CID
- 77356
- DTXSID
DTXSID70190962- UNII
- QJ2K322DET
- Nikkaji
- J87.731J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- FDA UNII
- 2 K322DET · QJ2K322DET
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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