methanol;(4-methyldithiolan-4-yl)methanol

C6H14O2S2 — CID 142196217

IUPACmethanol;(4-methyldithiolan-4-yl)methanol
SMILESCC1(CO)CSSC1.CO
InChIInChI=1S/C5H10OS2.CH4O/c1-5(2-6)3-7-8-4-5;1-2/h6H,2-4H2,1H3;2H,1H3
InChIKeyDSWQIJYVCYOZDF-UHFFFAOYSA-N
MW182.31 g/mol
LogP0.99
Rot. Bonds1

About methanol;(4-methyldithiolan-4-yl)methanol

methanol;(4-methyldithiolan-4-yl)methanol (PubChem CID 142196217) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is methanol;(4-methyldithiolan-4-yl)methanol.

Molecular Properties

Compound Namemethanol;(4-methyldithiolan-4-yl)methanol
PubChem CID142196217
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Namemethanol;(4-methyldithiolan-4-yl)methanol
SMILESCC1(CO)CSSC1.CO
InChIInChI=1S/C5H10OS2.CH4O/c1-5(2-6)3-7-8-4-5;1-2/h6H,2-4H2,1H3;2H,1H3
InChIKeyDSWQIJYVCYOZDF-UHFFFAOYSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;(4-methyldithiolan-4-yl)methanol?
The IUPAC name of methanol;(4-methyldithiolan-4-yl)methanol (CID 142196217) is methanol;(4-methyldithiolan-4-yl)methanol.
What is the SMILES notation for methanol;(4-methyldithiolan-4-yl)methanol?
The canonical SMILES for methanol;(4-methyldithiolan-4-yl)methanol is CC1(CO)CSSC1.CO.
What is the InChIKey of methanol;(4-methyldithiolan-4-yl)methanol?
The InChIKey is DSWQIJYVCYOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2.CH4O/c1-5(2-6)3-7-8-4-5;1-2/h6H,2-4H2,1H3;2H,1H3.
What are the key properties of methanol;(4-methyldithiolan-4-yl)methanol?
methanol;(4-methyldithiolan-4-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(4-methyldithiolan-4-yl)methanol is sourced from PubChem (CID 142196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).