dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

C6H12N2S4 — CID 5455

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IUPACdimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
InChIKeyKUAZQDVKQLNFPE-UHFFFAOYSA-N
MW240.44 g/mol
LogP2.06
Rot. Bonds

About dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate (PubChem CID 5455) has the molecular formula C6H12N2S4 and a molecular weight of 240.44 g/mol. Its IUPAC name is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
PubChem CID5455
Molecular FormulaC6H12N2S4
Molecular Weight240.44 g/mol
Exact Mass239.99
IUPAC Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
InChIKeyKUAZQDVKQLNFPE-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ziram
CID 8722
Tetramethylthiuram monosulfide
CID 7347
Ferbam
CID 26710
Lead Dimethyldithiocarbamate
CID 519623
Copper dimethyldithiocarbamate
CID 472181
Bismuth tris(dimethyldithiocarbamate)
CID 560564
Carbamodithioic acid, N,N-dimethyl-, calcium salt (2:1)
CID 30090
Nickel, bis(N,N-dimethylcarbamodithioato-kappaS,kappaS')-, (SP-4-1)-
CID 84966
Asomate
CID 19167
Bis(dimethylthiocarbamoyl) tetrasulfide
CID 66810
Manganese dimethyldithiocarbamate
CID 61792
(T-4)-bis(dimethylcarbamodithioato-kappaS,kappaS')zinc
CID 3485262

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate (CID 5455) is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SSC(=S)N(C)C.
What is the InChIKey of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The InChIKey is KUAZQDVKQLNFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3.
What are the key properties of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate?
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate has a molecular weight of 240.44 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 5455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).