(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol

C6H12O2S2 — CID 131123228

IUPAC(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol
SMILESC[C@@H](O)[C@]1(C)SCCS1=O
InChIInChI=1S/C6H12O2S2/c1-5(7)6(2)9-3-4-10(6)8/h5,7H,3-4H2,1-2H3/t5-,6-,10?/m1/s1
InChIKeyKPZPSRVNVOGYGJ-RVOMKPBNSA-N
MW180.29 g/mol
LogP0.58
Rot. Bonds1

About (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol

(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol (PubChem CID 131123228) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol
PubChem CID131123228
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol
SMILESC[C@@H](O)[C@]1(C)SCCS1=O
InChIInChI=1S/C6H12O2S2/c1-5(7)6(2)9-3-4-10(6)8/h5,7H,3-4H2,1-2H3/t5-,6-,10?/m1/s1
InChIKeyKPZPSRVNVOGYGJ-RVOMKPBNSA-N
XLogP0.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol (CID 131123228) is (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol is C[C@@H](O)[C@]1(C)SCCS1=O.
What is the InChIKey of (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol?
The InChIKey is KPZPSRVNVOGYGJ-RVOMKPBNSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-5(7)6(2)9-3-4-10(6)8/h5,7H,3-4H2,1-2H3/t5-,6-,10?/m1/s1.
What are the key properties of (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol?
(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol is sourced from PubChem (CID 131123228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).