dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol

C8H18N2OS4 — CID 174806939

IUPACdimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol
SMILESCCO.CN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4.C2H6O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2-3/h1-4H3;3H,2H2,1H3
InChIKeyJZLGAXIEHWMZIT-UHFFFAOYSA-N
MW286.51 g/mol
LogP2.06
Rot. Bonds

About dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol (PubChem CID 174806939) has the molecular formula C8H18N2OS4 and a molecular weight of 286.51 g/mol. Its IUPAC name is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol.

Molecular Properties

Compound Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol
PubChem CID174806939
Molecular FormulaC8H18N2OS4
Molecular Weight286.51 g/mol
Exact Mass286.03
IUPAC Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol
SMILESCCO.CN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4.C2H6O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2-3/h1-4H3;3H,2H2,1H3
InChIKeyJZLGAXIEHWMZIT-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol?
The IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol (CID 174806939) is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol.
What is the SMILES notation for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol?
The canonical SMILES for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol is CCO.CN(C)C(=S)SSC(=S)N(C)C.
What is the InChIKey of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol?
The InChIKey is JZLGAXIEHWMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4.C2H6O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2-3/h1-4H3;3H,2H2,1H3.
What are the key properties of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol?
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol has a molecular weight of 286.51 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol is sourced from PubChem (CID 174806939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).