Diisopropylaminoethanethiol
Basic information
- CAS
5842-07-9- Standard SMILES
CC(C)N(CCS)C(C)C- InChIKey
IFZVKYXDCOHPOT-UHFFFAOYSA-N- Molecular formula
- C8H19NS
- Average molar mass
- 161.31 g/mol
- Monoisotopic mass
- 161.12382078
Overview
This is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.
Names & identifiers
- Preferred name
- Diisopropylaminoethanethiol
- IUPAC
- 2-[di(propan-2-yl)amino]ethanethiol
- English name
- 2-(Diisopropylamino)-ethanethiol
- Molecular formula
- C8H19NS
- Molecular weight
- 161.31
Names & synonyms
5842-07-92-(N,N-Diisopropylamino)ethanethiolRefChem:84795Diisopropylaminoethanethiol2-(Diisopropylamino)ethanethiol2-(DIISOPROPYLAMINO)-ETHANETHIOLEthanethiol, 2-(diisopropylamino)-2-[di(propan-2-yl)amino]ethanethiolUSAF A-16784MFCD00137452N,N-(2-diisopropylamino)ethanethiolEthanethiol, 2-(bis(1-methylethyl)amino)-
Show more names
2-(diisopropylamino)ethane-1-thiolusafa-16784DIISOPROPYLETHYLMERCAPTOAMINE2-(diisopropylamino)-ethanethioBETA-DIISOPROPYLAMINOETHANETHIOL
Ethanethiol, 2-[bis(1-methylethyl)amino]-BRN 0969233SCHEMBL938152-Diisopropylamino ethanethiolSCHEMBL5933382DTXSID7074797IFZVKYXDCOHPOT-UHFFFAOYSA-NAKOS006230672
Database identifiers
- CAS
5842-07-9- PubChem CID
- 111102
- DTXSID
DTXSID7074797- Nikkaji
- J49.735E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
Physical DescriptionThis is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.
Physicochemical properties
- Boiling point
- 125 · 125-126 °C(Press: 16 Torr)
- Density
- 0.8644 g/cm3 · 0.8644 g/cm3
- pka
- 8.9 · 8.90±0.10(Predicted)
- EPA Substance Registry System
- N,N-(2-diisopropylamino)ethanethiol (5842-07-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
DHS Chemicals of Interest (COI)
N,N-(2-diisopropylamino)-ethanethiol
30.00
2.2
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
Safety & protection
Protective Action Criteria (PAC)
0.016 [mg/m3]
0.18 [mg/m3]
1.1 [mg/m3]
Regulatory information
DHS Chemicals of Interest (COI)
N,N-(2-diisopropylamino)-ethanethiol
30.00
2.2
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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