carbamothioylsulfanyl N,N-dimethylcarbamodithioate

C4H8N2S4 — CID 19390433

IUPACcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSC(N)=S
InChIInChI=1S/C4H8N2S4/c1-6(2)4(8)10-9-3(5)7/h1-2H3,(H2,5,7)
InChIKeyNKQCFTGGMPNPMC-UHFFFAOYSA-N
MW212.39 g/mol
LogP1.46
Rot. Bonds

About carbamothioylsulfanyl N,N-dimethylcarbamodithioate

carbamothioylsulfanyl N,N-dimethylcarbamodithioate (PubChem CID 19390433) has the molecular formula C4H8N2S4 and a molecular weight of 212.39 g/mol. Its IUPAC name is carbamothioylsulfanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namecarbamothioylsulfanyl N,N-dimethylcarbamodithioate
PubChem CID19390433
Molecular FormulaC4H8N2S4
Molecular Weight212.39 g/mol
Exact Mass211.96
IUPAC Namecarbamothioylsulfanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SSC(N)=S
InChIInChI=1S/C4H8N2S4/c1-6(2)4(8)10-9-3(5)7/h1-2H3,(H2,5,7)
InChIKeyNKQCFTGGMPNPMC-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of carbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The IUPAC name of carbamothioylsulfanyl N,N-dimethylcarbamodithioate (CID 19390433) is carbamothioylsulfanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for carbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for carbamothioylsulfanyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SSC(N)=S.
What is the InChIKey of carbamothioylsulfanyl N,N-dimethylcarbamodithioate?
The InChIKey is NKQCFTGGMPNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4/c1-6(2)4(8)10-9-3(5)7/h1-2H3,(H2,5,7).
What are the key properties of carbamothioylsulfanyl N,N-dimethylcarbamodithioate?
carbamothioylsulfanyl N,N-dimethylcarbamodithioate has a molecular weight of 212.39 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 19390433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).