[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol

C7H14OS2 — CID 71410701

IUPAC[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol
SMILESCCC[C@@H]1SC[C@@H](CO)S1
InChIInChI=1S/C7H14OS2/c1-2-3-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHCQWGSAXPBARBF-RNFRBKRXSA-N
MW178.32 g/mol
LogP1.95
Rot. Bonds3

About [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol

[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol (PubChem CID 71410701) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol
PubChem CID71410701
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol
SMILESCCC[C@@H]1SC[C@@H](CO)S1
InChIInChI=1S/C7H14OS2/c1-2-3-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHCQWGSAXPBARBF-RNFRBKRXSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol (CID 71410701) is [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol is CCC[C@@H]1SC[C@@H](CO)S1.
What is the InChIKey of [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol?
The InChIKey is HCQWGSAXPBARBF-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14OS2/c1-2-3-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol?
[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol has a molecular weight of 178.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 71410701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).