[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
Basic information
- CAS
89964-93-2- Standard SMILES
CCN(CC)C(=S)SCc1ccc(CSC(=S)N(CC)CC)cc1- InChIKey
CKESHWQHGBKZBB-UHFFFAOYSA-N- Molecular formula
- C18H28N2S4
- Average molar mass
- 400.7 g/mol
- Monoisotopic mass
- 400.1135329
Names & identifiers
- Preferred name
- [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
- IUPAC
- [4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioate
- English name
- p-Xylylenebis(N,N-diethyldithiocarbamate)
- Molecular formula
- C18H28N2S4
- Molecular weight
- 400.69
Names & synonyms
89964-93-2p-Xylylenebis(N,N-diethyldithiocarbamate)1,4-Phenylenebis(methylene) bis(diethylcarbamodithioate)MFCD00191696[4-(diethylcarbamothioylsulfanylmethyl)phenyl]methyl N,N-diethylcarbamodithioatep-xylylene bis(n,n-diethyldithiocarbamate)1,4-Bis(N,N-diethyldithiocarbamylmethyl)benzenep-Phenylenedimethylene bis(diethyldithiocarbamate)SCHEMBL3143432CKESHWQHGBKZBB-UHFFFAOYSA-DTXSID50343590CKESHWQHGBKZBB-UHFFFAOYSA-N
Show more names
p-XylylenebisP-XYLYLENEBIS(N,N-DIETHYLDITHIOCARBAMATE) 96+%P-phenyldimethylbis (N, N-diethyldithiocarbamate)Carbamodithioic acid, N,N-diethyl-, S,S''-[1,4-phenylenebis(methylene)] ester1,4-Bis(N,N-diethyldithiocarbamylmethyl)benzene p-Xylenebis(N,N-diethyldithiocarbamate)
C18H28N2S4p-Xylenebis(N,N-diethyldithiocarbamate)p-Xylylenebis(NN-diethyldithiocarbamate)SY056126DB-057175CS-0358047X0056F569279
Database identifiers
- CAS
89964-93-2- PubChem CID
- 590732
- DTXSID
DTXSID50343590- Nikkaji
- J534.198A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 502.4 · 502.4±60.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 1.2 · 1.20±0.50(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- HS Code
- 2930.2 · 2930.20.2050
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
- hs_code
- 2930.20.2050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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