N,N-Bis(2-mercaptoethyl)-N',N'-diethylethylenediamine
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Basic information
- CAS
93798-62-0- Standard SMILES
CCN(CC)CCN(CCS)CCS- InChIKey
SQCRCKFOMCLOGC-UHFFFAOYSA-N- Molecular formula
- C10H24N2S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.13809112
Names & identifiers
- Preferred name
- N,N-Bis(2-mercaptoethyl)-N',N'-diethylethylenediamine
- IUPAC
- 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol
- English name
- N,N-Bis(2-mercaptoethyl)-N'',N''-diethylethylenediamine
- Molecular formula
- C10H24N2S2
- Molecular weight
- 236.44
Names & synonyms
BMEDA1J7PW297VPUNII-1J7PW297VPn,n-bis(2-mercaptoethyl)-n',n'-diethylethylenediamineEthanethiol, 2,2'-((2-(diethylamino)ethyl)imino)bis-N,N-Bis(2-mercaptoethyl)-N',N'-diethylenediamine2,2'-((2-(DIETHYLAMINO)ETHYL)IMINO)BIS(ETHANETHIOL)RefChem:20190493798-62-02,2'-((2-(Diethylamino)ethyl)azanediyl)diethanethiolN,N-Bis(2-mercaptoethyl)-N'',N''-diethylethylenediamine2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol
Show more names
Ethanethiol, 2,2''-[[2-(diethylamino)ethyl]imino]bis-
SCHEMBL1654597DTXSID001366265MFCD17018724SY5660642,2 inverted exclamation mark -[[2-(Diethylamino)ethyl]azanediyl]diethanethiol
Database identifiers
- CAS
93798-62-0- PubChem CID
- 449880
- DTXSID
DTXSID001366265- UNII
- 1J7PW297VP
- Nikkaji
- J622.367B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 8.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 305.7 · 305.7±32.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.10(Predicted)
- FDA UNII
- 1 J7PW297VP · 1J7PW297VP
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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