dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane

C6H14N2S4 — CID 88689851

IUPACdimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane
SMILESCN(C)C(=S)SC(=S)N(C)C.S
InChIInChI=1S/C6H12N2S3.H2S/c1-7(2)5(9)11-6(10)8(3)4;/h1-4H3;1H2
InChIKeyMJSINFJALQIUCF-UHFFFAOYSA-N
MW242.46 g/mol
LogP1.53
Rot. Bonds

About dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane

dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane (PubChem CID 88689851) has the molecular formula C6H14N2S4 and a molecular weight of 242.46 g/mol. Its IUPAC name is dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane.

Molecular Properties

Compound Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane
PubChem CID88689851
Molecular FormulaC6H14N2S4
Molecular Weight242.46 g/mol
Exact Mass242.00
IUPAC Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane
SMILESCN(C)C(=S)SC(=S)N(C)C.S
InChIInChI=1S/C6H12N2S3.H2S/c1-7(2)5(9)11-6(10)8(3)4;/h1-4H3;1H2
InChIKeyMJSINFJALQIUCF-UHFFFAOYSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.46
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane?
The IUPAC name of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane (CID 88689851) is dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane.
What is the SMILES notation for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane?
The canonical SMILES for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane is CN(C)C(=S)SC(=S)N(C)C.S.
What is the InChIKey of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane?
The InChIKey is MJSINFJALQIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S3.H2S/c1-7(2)5(9)11-6(10)8(3)4;/h1-4H3;1H2.
What are the key properties of dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane?
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane has a molecular weight of 242.46 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane is sourced from PubChem (CID 88689851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).