2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol

C6H14OS3 — CID 24766495

IUPAC2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol
SMILESCOCC(CS)(CS)CS
InChIInChI=1S/C6H14OS3/c1-7-2-6(3-8,4-9)5-10/h8-10H,2-5H2,1H3
InChIKeyCPOXQVQPHDKBME-UHFFFAOYSA-N
MW198.38 g/mol
LogP1.41
Rot. Bonds5

About 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol

2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol (PubChem CID 24766495) has the molecular formula C6H14OS3 and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol
PubChem CID24766495
Molecular FormulaC6H14OS3
Molecular Weight198.38 g/mol
Exact Mass198.02
IUPAC Name2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol
SMILESCOCC(CS)(CS)CS
InChIInChI=1S/C6H14OS3/c1-7-2-6(3-8,4-9)5-10/h8-10H,2-5H2,1H3
InChIKeyCPOXQVQPHDKBME-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol?
The IUPAC name of 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol (CID 24766495) is 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol.
What is the SMILES notation for 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol?
The canonical SMILES for 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol is COCC(CS)(CS)CS.
What is the InChIKey of 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol?
The InChIKey is CPOXQVQPHDKBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS3/c1-7-2-6(3-8,4-9)5-10/h8-10H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol?
2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol has a molecular weight of 198.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(sulfanylmethyl)propane-1,3-dithiol is sourced from PubChem (CID 24766495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).