tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane

C24H52N8S18 — CID 173002186

IUPACtetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane
SMILESCN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.S.S
InChIInChI=1S/4C6H12N2S4.2H2S/c4*1-7(2)5(9)11-12-6(10)8(3)4;;/h4*1-4H3;2*1H2
InChIKeyXCSASHNXUBOMOG-UHFFFAOYSA-N
MW1029.94 g/mol
LogP8.47
Rot. Bonds

About tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane

tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane (PubChem CID 173002186) has the molecular formula C24H52N8S18 and a molecular weight of 1029.94 g/mol. Its IUPAC name is tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane.

Molecular Properties

Compound Nametetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane
PubChem CID173002186
Molecular FormulaC24H52N8S18
Molecular Weight1029.94 g/mol
Exact Mass1027.93
IUPAC Nametetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane
SMILESCN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.S.S
InChIInChI=1S/4C6H12N2S4.2H2S/c4*1-7(2)5(9)11-12-6(10)8(3)4;;/h4*1-4H3;2*1H2
InChIKeyXCSASHNXUBOMOG-UHFFFAOYSA-N
XLogP8.47
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.94
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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 tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane?
The IUPAC name of tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane (CID 173002186) is tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane.
What is the SMILES notation for tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane?
The canonical SMILES for tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane is CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.CN(C)C(=S)SSC(=S)N(C)C.S.S.
What is the InChIKey of tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane?
The InChIKey is XCSASHNXUBOMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12N2S4.2H2S/c4*1-7(2)5(9)11-12-6(10)8(3)4;;/h4*1-4H3;2*1H2.
What are the key properties of tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane?
tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane has a molecular weight of 1029.94 g/mol, XLogP of 8.47, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate);sulfane is sourced from PubChem (CID 173002186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).