(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol

C6H12OS2 — CID 134929891

IUPAC(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol
SMILESC[C@H](CO)C1SCCS1
InChIInChI=1S/C6H12OS2/c1-5(4-7)6-8-2-3-9-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyANMFYFQLEOCQQK-RXMQYKEDSA-N
MW164.29 g/mol
LogP1.42
Rot. Bonds2

About (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol

(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol (PubChem CID 134929891) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol
PubChem CID134929891
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol
SMILESC[C@H](CO)C1SCCS1
InChIInChI=1S/C6H12OS2/c1-5(4-7)6-8-2-3-9-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyANMFYFQLEOCQQK-RXMQYKEDSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol?
The IUPAC name of (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol (CID 134929891) is (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol is C[C@H](CO)C1SCCS1.
What is the InChIKey of (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol?
The InChIKey is ANMFYFQLEOCQQK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12OS2/c1-5(4-7)6-8-2-3-9-6/h5-7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol?
(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol has a molecular weight of 164.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dithiolan-2-yl)propan-1-ol is sourced from PubChem (CID 134929891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).