1-(methyldisulfanyl)-1-methylsulfanylethane

C4H10S3 — CID 528855

IUPAC1-(methyldisulfanyl)-1-methylsulfanylethane
SMILESCSSC(C)SC
InChIInChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3
InChIKeyBILDZELNIVRXQA-UHFFFAOYSA-N
MW154.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(methyldisulfanyl)-1-methylsulfanylethane

1-(methyldisulfanyl)-1-methylsulfanylethane (PubChem CID 528855) has the molecular formula C4H10S3 and a molecular weight of 154.32 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-1-methylsulfanylethane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-1-methylsulfanylethane
PubChem CID528855
Molecular FormulaC4H10S3
Molecular Weight154.32 g/mol
Exact Mass153.99
IUPAC Name1-(methyldisulfanyl)-1-methylsulfanylethane
SMILESCSSC(C)SC
InChIInChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3
InChIKeyBILDZELNIVRXQA-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)-1-methylsulfanylethane?
The IUPAC name of 1-(methyldisulfanyl)-1-methylsulfanylethane (CID 528855) is 1-(methyldisulfanyl)-1-methylsulfanylethane.
What is the SMILES notation for 1-(methyldisulfanyl)-1-methylsulfanylethane?
The canonical SMILES for 1-(methyldisulfanyl)-1-methylsulfanylethane is CSSC(C)SC.
What is the InChIKey of 1-(methyldisulfanyl)-1-methylsulfanylethane?
The InChIKey is BILDZELNIVRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3.
What are the key properties of 1-(methyldisulfanyl)-1-methylsulfanylethane?
1-(methyldisulfanyl)-1-methylsulfanylethane has a molecular weight of 154.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-1-methylsulfanylethane is sourced from PubChem (CID 528855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).