dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol

C7H16N2OS4 — CID 174924399

IUPACdimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol
SMILESCN(C)C(=S)SSC(=S)N(C)C.CO
InChIInChI=1S/C6H12N2S4.CH4O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2/h1-4H3;2H,1H3
InChIKeyPLTFWYSYJWUBKU-UHFFFAOYSA-N
MW272.49 g/mol
LogP1.67
Rot. Bonds

About dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol (PubChem CID 174924399) has the molecular formula C7H16N2OS4 and a molecular weight of 272.49 g/mol. Its IUPAC name is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol.

Molecular Properties

Compound Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol
PubChem CID174924399
Molecular FormulaC7H16N2OS4
Molecular Weight272.49 g/mol
Exact Mass272.01
IUPAC Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol
SMILESCN(C)C(=S)SSC(=S)N(C)C.CO
InChIInChI=1S/C6H12N2S4.CH4O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2/h1-4H3;2H,1H3
InChIKeyPLTFWYSYJWUBKU-UHFFFAOYSA-N
XLogP1.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 51.67
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;methanol?
The IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol (CID 174924399) is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol.
What is the SMILES notation for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol?
The canonical SMILES for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol is CN(C)C(=S)SSC(=S)N(C)C.CO.
What is the InChIKey of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol?
The InChIKey is PLTFWYSYJWUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4.CH4O/c1-7(2)5(9)11-12-6(10)8(3)4;1-2/h1-4H3;2H,1H3.
What are the key properties of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol?
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol has a molecular weight of 272.49 g/mol, XLogP of 1.67, 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;methanol is sourced from PubChem (CID 174924399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).