methylsulfanylmethylsulfanylmethanol

C3H8OS2 — CID 20609774

IUPACmethylsulfanylmethylsulfanylmethanol
SMILESCSCSCO
InChIInChI=1S/C3H8OS2/c1-5-3-6-2-4/h4H,2-3H2,1H3
InChIKeyKRDAQUHPNOKAQM-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.99
Rot. Bonds3

About methylsulfanylmethylsulfanylmethanol

methylsulfanylmethylsulfanylmethanol (PubChem CID 20609774) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is methylsulfanylmethylsulfanylmethanol.

Molecular Properties

Compound Namemethylsulfanylmethylsulfanylmethanol
PubChem CID20609774
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Namemethylsulfanylmethylsulfanylmethanol
SMILESCSCSCO
InChIInChI=1S/C3H8OS2/c1-5-3-6-2-4/h4H,2-3H2,1H3
InChIKeyKRDAQUHPNOKAQM-UHFFFAOYSA-N
XLogP0.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 methylsulfanylmethylsulfanylmethanol?
The IUPAC name of methylsulfanylmethylsulfanylmethanol (CID 20609774) is methylsulfanylmethylsulfanylmethanol.
What is the SMILES notation for methylsulfanylmethylsulfanylmethanol?
The canonical SMILES for methylsulfanylmethylsulfanylmethanol is CSCSCO.
What is the InChIKey of methylsulfanylmethylsulfanylmethanol?
The InChIKey is KRDAQUHPNOKAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c1-5-3-6-2-4/h4H,2-3H2,1H3.
What are the key properties of methylsulfanylmethylsulfanylmethanol?
methylsulfanylmethylsulfanylmethanol has a molecular weight of 124.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfanylmethanol is sourced from PubChem (CID 20609774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).