hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane

CH4OS4 — CID 90454313

IUPAChydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane
SMILESCSS(O)(=S)=S
InChIInChI=1S/CH4OS4/c1-5-6(2,3)4/h1H3,(H,2,3,4)
InChIKeyRGVRMKLNLBICDX-UHFFFAOYSA-N
MW160.31 g/mol
LogP0.82
Rot. Bonds1

About hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane

hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane (PubChem CID 90454313) has the molecular formula CH4OS4 and a molecular weight of 160.31 g/mol. Its IUPAC name is hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane
PubChem CID90454313
Molecular FormulaCH4OS4
Molecular Weight160.31 g/mol
Exact Mass159.91
IUPAC Namehydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane
SMILESCSS(O)(=S)=S
InChIInChI=1S/CH4OS4/c1-5-6(2,3)4/h1H3,(H,2,3,4)
InChIKeyRGVRMKLNLBICDX-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonic acid;methylsulfanylmethane
CID 174896398
(methyldisulfanyl)methane;sulfuric acid
CID 172837638
platinum;sulfurothioic O-acid
CID 173374995
hydroxy-hydroxysulfonothioylsulfanyl-oxo-sulfanylidene-λ6-sulfane
CID 175982977
gallane;sulfurothioic O-acid
CID 175433245
sulfurothioic O-acid;uranium
CID 174777711
CID 173149311
CID 173149311
sulfurothioic O-acid;titanium
CID 174806417
silver;sulfurothioic O-acid;sulfurous acid
CID 173330609
hydrogen peroxide;sulfurothioic O-acid;sulfurous acid
CID 18783594
hydrogen peroxide;methylsulfanylmethane
CID 159059771
azane;ethanol;sulfurothioic O-acid
CID 175527325

Frequently Asked Questions

What is the IUPAC name of hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane (CID 90454313) is hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane is CSS(O)(=S)=S.
What is the InChIKey of hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is RGVRMKLNLBICDX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4OS4/c1-5-6(2,3)4/h1H3,(H,2,3,4).
What are the key properties of hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane?
hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 160.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 90454313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).