methylcarbamothioylsulfanyl N-methylcarbamodithioate

C4H8N2S4 — CID 3034132

IUPACmethylcarbamothioylsulfanyl N-methylcarbamodithioate
SMILESCNC(=S)SSC(=S)NC
InChIInChI=1S/C4H8N2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyJPVRJMGCWMBVMY-UHFFFAOYSA-N
MW212.39 g/mol
LogP1.38
Rot. Bonds

About methylcarbamothioylsulfanyl N-methylcarbamodithioate

methylcarbamothioylsulfanyl N-methylcarbamodithioate (PubChem CID 3034132) has the molecular formula C4H8N2S4 and a molecular weight of 212.39 g/mol. Its IUPAC name is methylcarbamothioylsulfanyl N-methylcarbamodithioate.

Molecular Properties

Compound Namemethylcarbamothioylsulfanyl N-methylcarbamodithioate
PubChem CID3034132
Molecular FormulaC4H8N2S4
Molecular Weight212.39 g/mol
Exact Mass211.96
IUPAC Namemethylcarbamothioylsulfanyl N-methylcarbamodithioate
SMILESCNC(=S)SSC(=S)NC
InChIInChI=1S/C4H8N2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyJPVRJMGCWMBVMY-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
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 methylcarbamothioylsulfanyl N-methylcarbamodithioate?
The IUPAC name of methylcarbamothioylsulfanyl N-methylcarbamodithioate (CID 3034132) is methylcarbamothioylsulfanyl N-methylcarbamodithioate.
What is the SMILES notation for methylcarbamothioylsulfanyl N-methylcarbamodithioate?
The canonical SMILES for methylcarbamothioylsulfanyl N-methylcarbamodithioate is CNC(=S)SSC(=S)NC.
What is the InChIKey of methylcarbamothioylsulfanyl N-methylcarbamodithioate?
The InChIKey is JPVRJMGCWMBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8).
What are the key properties of methylcarbamothioylsulfanyl N-methylcarbamodithioate?
methylcarbamothioylsulfanyl N-methylcarbamodithioate has a molecular weight of 212.39 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamothioylsulfanyl N-methylcarbamodithioate is sourced from PubChem (CID 3034132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).