(2R)-2-sulfanylpropan-1-ol

C3H8OS — CID 13039564

IUPAC(2R)-2-sulfanylpropan-1-ol
SMILESC[C@@H](S)CO
InChIInChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
InChIKeyQNNVICQPXUUBSN-GSVOUGTGSA-N
MW92.16 g/mol
LogP0.30
Rot. Bonds1

About (2R)-2-sulfanylpropan-1-ol

(2R)-2-sulfanylpropan-1-ol (PubChem CID 13039564) has the molecular formula C3H8OS and a molecular weight of 92.16 g/mol. Its IUPAC name is (2R)-2-sulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-sulfanylpropan-1-ol
PubChem CID13039564
Molecular FormulaC3H8OS
Molecular Weight92.16 g/mol
Exact Mass92.03
IUPAC Name(2R)-2-sulfanylpropan-1-ol
SMILESC[C@@H](S)CO
InChIInChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
InChIKeyQNNVICQPXUUBSN-GSVOUGTGSA-N
XLogP0.30
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-sulfanylpropan-1-ol?
The IUPAC name of (2R)-2-sulfanylpropan-1-ol (CID 13039564) is (2R)-2-sulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-sulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-sulfanylpropan-1-ol is C[C@@H](S)CO.
What is the InChIKey of (2R)-2-sulfanylpropan-1-ol?
The InChIKey is QNNVICQPXUUBSN-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1.
What are the key properties of (2R)-2-sulfanylpropan-1-ol?
(2R)-2-sulfanylpropan-1-ol has a molecular weight of 92.16 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-sulfanylpropan-1-ol is sourced from PubChem (CID 13039564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).