(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate

C4H8N2S6 — CID 3003740

IUPAC(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
SMILESCNC(=S)SSSSC(=S)NC
InChIInChI=1S/C4H8N2S6/c1-5-3(7)9-11-12-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyLGLKIMATEGSGNB-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.67
Rot. Bonds3

About (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate

(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate (PubChem CID 3003740) has the molecular formula C4H8N2S6 and a molecular weight of 276.52 g/mol. Its IUPAC name is (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate.

Molecular Properties

Compound Name(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
PubChem CID3003740
Molecular FormulaC4H8N2S6
Molecular Weight276.52 g/mol
Exact Mass275.90
IUPAC Name(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
SMILESCNC(=S)SSSSC(=S)NC
InChIInChI=1S/C4H8N2S6/c1-5-3(7)9-11-12-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyLGLKIMATEGSGNB-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate?
The IUPAC name of (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate (CID 3003740) is (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate.
What is the SMILES notation for (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate?
The canonical SMILES for (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate is CNC(=S)SSSSC(=S)NC.
What is the InChIKey of (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate?
The InChIKey is LGLKIMATEGSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S6/c1-5-3(7)9-11-12-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8).
What are the key properties of (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate?
(methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate has a molecular weight of 276.52 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate is sourced from PubChem (CID 3003740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).