(4-methyldithiolan-4-yl)methanol

C5H10OS2 — CID 142196218

IUPAC(4-methyldithiolan-4-yl)methanol
SMILESCC1(CO)CSSC1
InChIInChI=1S/C5H10OS2/c1-5(2-6)3-7-8-4-5/h6H,2-4H2,1H3
InChIKeyNVEOTRDUQHAONS-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.38
Rot. Bonds1

About (4-methyldithiolan-4-yl)methanol

(4-methyldithiolan-4-yl)methanol (PubChem CID 142196218) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is (4-methyldithiolan-4-yl)methanol.

Molecular Properties

Compound Name(4-methyldithiolan-4-yl)methanol
PubChem CID142196218
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name(4-methyldithiolan-4-yl)methanol
SMILESCC1(CO)CSSC1
InChIInChI=1S/C5H10OS2/c1-5(2-6)3-7-8-4-5/h6H,2-4H2,1H3
InChIKeyNVEOTRDUQHAONS-UHFFFAOYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyldithiolan-4-yl)methanol?
The IUPAC name of (4-methyldithiolan-4-yl)methanol (CID 142196218) is (4-methyldithiolan-4-yl)methanol.
What is the SMILES notation for (4-methyldithiolan-4-yl)methanol?
The canonical SMILES for (4-methyldithiolan-4-yl)methanol is CC1(CO)CSSC1.
What is the InChIKey of (4-methyldithiolan-4-yl)methanol?
The InChIKey is NVEOTRDUQHAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-5(2-6)3-7-8-4-5/h6H,2-4H2,1H3.
What are the key properties of (4-methyldithiolan-4-yl)methanol?
(4-methyldithiolan-4-yl)methanol has a molecular weight of 150.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyldithiolan-4-yl)methanol is sourced from PubChem (CID 142196218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).