dimethylcarbamothioyl N,N-dimethylcarbamodithioate

C6H12N2S3 — CID 7347

IUPACdimethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC(=S)N(C)C
InChIInChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3
InChIKeyREQPQFUJGGOFQL-UHFFFAOYSA-N
MW208.38 g/mol
LogP1.41
Rot. Bonds

About dimethylcarbamothioyl N,N-dimethylcarbamodithioate

dimethylcarbamothioyl N,N-dimethylcarbamodithioate (PubChem CID 7347) has the molecular formula C6H12N2S3 and a molecular weight of 208.38 g/mol. Its IUPAC name is dimethylcarbamothioyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate
PubChem CID7347
Molecular FormulaC6H12N2S3
Molecular Weight208.38 g/mol
Exact Mass208.02
IUPAC Namedimethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC(=S)N(C)C
InChIInChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3
InChIKeyREQPQFUJGGOFQL-UHFFFAOYSA-N
XLogP1.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 51.41
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?
The IUPAC name of dimethylcarbamothioyl N,N-dimethylcarbamodithioate (CID 7347) is dimethylcarbamothioyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for dimethylcarbamothioyl N,N-dimethylcarbamodithioate?
The canonical SMILES for dimethylcarbamothioyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SC(=S)N(C)C.
What is the InChIKey of dimethylcarbamothioyl N,N-dimethylcarbamodithioate?
The InChIKey is REQPQFUJGGOFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3.
What are the key properties of dimethylcarbamothioyl N,N-dimethylcarbamodithioate?
dimethylcarbamothioyl N,N-dimethylcarbamodithioate has a molecular weight of 208.38 g/mol, XLogP of 1.41, 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 is sourced from PubChem (CID 7347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).