dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate

C6H14N4S4 — CID 3032491

IUPACdimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate
SMILESCN(C)NC(=S)SSC(=S)NN(C)C
InChIInChI=1S/C6H14N4S4/c1-9(2)7-5(11)13-14-6(12)8-10(3)4/h1-4H3,(H,7,11)(H,8,12)
InChIKeyZHIKKPYAYGUYPV-UHFFFAOYSA-N
MW270.47 g/mol
LogP1.07
Rot. Bonds2

About dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate

dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate (PubChem CID 3032491) has the molecular formula C6H14N4S4 and a molecular weight of 270.47 g/mol. Its IUPAC name is dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate.

Molecular Properties

Compound Namedimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate
PubChem CID3032491
Molecular FormulaC6H14N4S4
Molecular Weight270.47 g/mol
Exact Mass270.01
IUPAC Namedimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate
SMILESCN(C)NC(=S)SSC(=S)NN(C)C
InChIInChI=1S/C6H14N4S4/c1-9(2)7-5(11)13-14-6(12)8-10(3)4/h1-4H3,(H,7,11)(H,8,12)
InChIKeyZHIKKPYAYGUYPV-UHFFFAOYSA-N
XLogP1.07
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate?
The IUPAC name of dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate (CID 3032491) is dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate.
What is the SMILES notation for dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate?
The canonical SMILES for dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate is CN(C)NC(=S)SSC(=S)NN(C)C.
What is the InChIKey of dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate?
The InChIKey is ZHIKKPYAYGUYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S4/c1-9(2)7-5(11)13-14-6(12)8-10(3)4/h1-4H3,(H,7,11)(H,8,12).
What are the key properties of dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate?
dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate has a molecular weight of 270.47 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminocarbamothioylsulfanyl N-(dimethylamino)carbamodithioate is sourced from PubChem (CID 3032491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).