methanedithione;(methyldisulfanyl)methane

C3H6S4 — CID 174936185

IUPACmethanedithione;(methyldisulfanyl)methane
SMILESCSSC.S=C=S
InChIInChI=1S/C2H6S2.CS2/c1-3-4-2;2-1-3/h1-2H3;
InChIKeyOGBAPBXOMNZRKL-UHFFFAOYSA-N
MW170.35 g/mol
LogP2.65
Rot. Bonds1

About methanedithione;(methyldisulfanyl)methane

methanedithione;(methyldisulfanyl)methane (PubChem CID 174936185) has the molecular formula C3H6S4 and a molecular weight of 170.35 g/mol. Its IUPAC name is methanedithione;(methyldisulfanyl)methane.

Molecular Properties

Compound Namemethanedithione;(methyldisulfanyl)methane
PubChem CID174936185
Molecular FormulaC3H6S4
Molecular Weight170.35 g/mol
Exact Mass169.94
IUPAC Namemethanedithione;(methyldisulfanyl)methane
SMILESCSSC.S=C=S
InChIInChI=1S/C2H6S2.CS2/c1-3-4-2;2-1-3/h1-2H3;
InChIKeyOGBAPBXOMNZRKL-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.35
LogP ≤ 52.65
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

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(methyldisulfanyl)methane;molecular hydrogen
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sodium;hydride;(methyldisulfanyl)methane
CID 173290798
methanedithione;phosphane
CID 159871512
CID 163734619
CID 163734619
disulfanylmethane;(methyldisulfanyl)methane
CID 91453879
ethanol;methanedithione
CID 88506805
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
hexane;tris((methyldisulfanyl)methane)
CID 162088093
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170
(methyldisulfanyl)methane;sulfuric acid
CID 172837638
ethoxyethane;(methyldisulfanyl)methane
CID 155026334

Frequently Asked Questions

What is the IUPAC name of methanedithione;(methyldisulfanyl)methane?
The IUPAC name of methanedithione;(methyldisulfanyl)methane (CID 174936185) is methanedithione;(methyldisulfanyl)methane.
What is the SMILES notation for methanedithione;(methyldisulfanyl)methane?
The canonical SMILES for methanedithione;(methyldisulfanyl)methane is CSSC.S=C=S.
What is the InChIKey of methanedithione;(methyldisulfanyl)methane?
The InChIKey is OGBAPBXOMNZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.CS2/c1-3-4-2;2-1-3/h1-2H3;.
What are the key properties of methanedithione;(methyldisulfanyl)methane?
methanedithione;(methyldisulfanyl)methane has a molecular weight of 170.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithione;(methyldisulfanyl)methane is sourced from PubChem (CID 174936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).