(1R)-1-(1,3-dithiolan-2-yl)ethanol

C5H10OS2 — CID 14290513

IUPAC(1R)-1-(1,3-dithiolan-2-yl)ethanol
SMILESC[C@@H](O)C1SCCS1
InChIInChI=1S/C5H10OS2/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKeyKOMZRPGLKWMGSC-SCSAIBSYSA-N
MW150.27 g/mol
LogP1.17
Rot. Bonds1

About (1R)-1-(1,3-dithiolan-2-yl)ethanol

(1R)-1-(1,3-dithiolan-2-yl)ethanol (PubChem CID 14290513) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1R)-1-(1,3-dithiolan-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1,3-dithiolan-2-yl)ethanol
PubChem CID14290513
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name(1R)-1-(1,3-dithiolan-2-yl)ethanol
SMILESC[C@@H](O)C1SCCS1
InChIInChI=1S/C5H10OS2/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKeyKOMZRPGLKWMGSC-SCSAIBSYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-dithiolan-2-yl)ethanol?
The IUPAC name of (1R)-1-(1,3-dithiolan-2-yl)ethanol (CID 14290513) is (1R)-1-(1,3-dithiolan-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(1,3-dithiolan-2-yl)ethanol?
The canonical SMILES for (1R)-1-(1,3-dithiolan-2-yl)ethanol is C[C@@H](O)C1SCCS1.
What is the InChIKey of (1R)-1-(1,3-dithiolan-2-yl)ethanol?
The InChIKey is KOMZRPGLKWMGSC-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-4(6)5-7-2-3-8-5/h4-6H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(1,3-dithiolan-2-yl)ethanol?
(1R)-1-(1,3-dithiolan-2-yl)ethanol has a molecular weight of 150.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-dithiolan-2-yl)ethanol is sourced from PubChem (CID 14290513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).