1-(methyldisulfanyl)-2-methylsulfinylethane

C4H10OS3 — CID 86590331

IUPAC1-(methyldisulfanyl)-2-methylsulfinylethane
SMILESCSSCCS(C)=O
InChIInChI=1S/C4H10OS3/c1-6-7-3-4-8(2)5/h3-4H2,1-2H3
InChIKeyISYMVAYBBPAOED-UHFFFAOYSA-N
MW170.32 g/mol
LogP1.38
Rot. Bonds4

About 1-(methyldisulfanyl)-2-methylsulfinylethane

1-(methyldisulfanyl)-2-methylsulfinylethane (PubChem CID 86590331) has the molecular formula C4H10OS3 and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-2-methylsulfinylethane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-2-methylsulfinylethane
PubChem CID86590331
Molecular FormulaC4H10OS3
Molecular Weight170.32 g/mol
Exact Mass169.99
IUPAC Name1-(methyldisulfanyl)-2-methylsulfinylethane
SMILESCSSCCS(C)=O
InChIInChI=1S/C4H10OS3/c1-6-7-3-4-8(2)5/h3-4H2,1-2H3
InChIKeyISYMVAYBBPAOED-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Propanesulfinothioic acid, S-propyl ester
CID 74761
Diethyl sulfoxide
CID 6263
1-Ethylsulfinylsulfanylethane
CID 229427
Isopropyl sulfoxide
CID 16645
InChI=1/C5H12OS2/c1-3-4-5-8(6)7-2/h3-5H2,1-2H
CID 10012106
Ethane, (methylsulfinyl)-
CID 121148
Methyl 1-(methylsulfinyl)propyl disulfide
CID 14704626
Methyl propyl sulfoxide
CID 123336
1-Propanesulfinothioic acid, S-methyl ester
CID 20209223
Ethyl (ethylthio)methyl sulphoxide
CID 3015888
Butane, 1-(methylsulfinyl)-
CID 533669
S-isopropyl Propane-2-sulfinothioate
CID 10103524

Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)-2-methylsulfinylethane?
The IUPAC name of 1-(methyldisulfanyl)-2-methylsulfinylethane (CID 86590331) is 1-(methyldisulfanyl)-2-methylsulfinylethane.
What is the SMILES notation for 1-(methyldisulfanyl)-2-methylsulfinylethane?
The canonical SMILES for 1-(methyldisulfanyl)-2-methylsulfinylethane is CSSCCS(C)=O.
What is the InChIKey of 1-(methyldisulfanyl)-2-methylsulfinylethane?
The InChIKey is ISYMVAYBBPAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS3/c1-6-7-3-4-8(2)5/h3-4H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)-2-methylsulfinylethane?
1-(methyldisulfanyl)-2-methylsulfinylethane has a molecular weight of 170.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-2-methylsulfinylethane is sourced from PubChem (CID 86590331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).