Basic information
- CAS
5842-11-5- Standard SMILES
C=CCN(CC=C)CCS- InChIKey
MUNCUGLIPQTLKH-UHFFFAOYSA-N- Molecular formula
- C8H15NS
- Average molar mass
- 157.28 g/mol
- Monoisotopic mass
- 157.09252066
Names & identifiers
- Preferred name
- Ethanethiol, 2-(diallylamino)-
- IUPAC
- 2-[bis(prop-2-enyl)amino]ethanethiol
- English name
- 2-(Diallylamino)ethanethiol
- Molecular formula
- C8H15NS
- Molecular weight
- 157.28
Names & synonyms
5842-11-5Ethanethiol, 2-(diallylamino)-N-DiallylcysteaminN-Diallylcysteamin [German]BRN 1750417DTXSID902071274-04-00-01605 (Beilstein Handbook Reference)RefChem:340535DTXCID901296182-(diallylamino)ethanethiol2-(Diallylamino)ethane-1-thiol2-(diallylamino) ethanethiol
Show more names
Ethanethiol, 2-(di-2-propen-1-ylamino)-
SCHEMBL6451955SCHEMBL6451957SBB077070AKOS0051364842-(diprop-2-enylamino)ethane-1-thiol2-[Di(prop-2-en-1-yl)amino]ethane-1-thiol
Database identifiers
- CAS
5842-11-5- PubChem CID
- 79925
- DTXSID
DTXSID90207127- Nikkaji
- J49.731B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.4
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 17 Torr)
- Density
- 0.914 · 0.914±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.10(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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