Basic information
- CAS
18719-14-7- Standard SMILES
CC(=O)SCCN(C)C- InChIKey
WWQBUCLKROAZHO-UHFFFAOYSA-N- Molecular formula
- C6H13NOS
- Average molar mass
- 147.24 g/mol
- Monoisotopic mass
- 147.07178521
Names & identifiers
- Preferred name
- Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester
- IUPAC
- S-[2-(dimethylamino)ethyl] ethanethioate
- English name
- S-[2-(dimethylamino)ethyl] ethanethioate
- Molecular formula
- C6H13NOS
- Molecular weight
- 147.24
Names & synonyms
S-[2-(Dimethylamino)ethyl] ethanethioateEthanethioic acid, S-[2-(dimethylamino)ethyl] esterS-(2-(Dimethylamino)ethyl) ethanethioateEINECS 242-524-4DTXSID5066401Ethanethioic acid, S-(2-(dimethylamino)ethyl) esterRefChem:138185DTXCID5035907242-524-4WWQBUCLKROAZHO-UHFFFAOYSA-N18719-14-7SCHEMBL8376223
Show more names
ethane, 1-acetylthio-2-dimethylamino-S-(2-(Dimethylamino)ethyl)ethanethioateNS00048041S-[2-(Dimethylamino)ethyl] ethanethioate #
Database identifiers
- CAS
18719-14-7- PubChem CID
- 87760
- DTXSID
DTXSID5066401- EC Number
- 242-524-4
- Nikkaji
- J222.281G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 8 Torr)
- Density
- 0.981 g/cm3 · 0.981 g/cm3(Temp: 25 °C)
- pka
- 8.55 · 8.55±0.28(Predicted)
- EPA Substance Registry System
- 2 · Ethanethioic acid, S-[2-(dimethylamino)ethyl] ester (18719-14-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanethioic acid, S-[2-(dimethylamino)ethyl] ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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