(2S)-1-sulfanylpropan-2-ol

C3H8OS — CID 10898643

IUPAC(2S)-1-sulfanylpropan-2-ol
SMILESC[C@H](O)CS
InChIInChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3/t3-/m0/s1
InChIKeyFETFXNFGOYOOSP-VKHMYHEASA-N
MW92.16 g/mol
LogP0.30
Rot. Bonds1

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

(2S)-1-sulfanylpropan-2-ol (PubChem CID 10898643) has the molecular formula C3H8OS and a molecular weight of 92.16 g/mol. Its IUPAC name is (2S)-1-sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-sulfanylpropan-2-ol
PubChem CID10898643
Molecular FormulaC3H8OS
Molecular Weight92.16 g/mol
Exact Mass92.03
IUPAC Name(2S)-1-sulfanylpropan-2-ol
SMILESC[C@H](O)CS
InChIInChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3/t3-/m0/s1
InChIKeyFETFXNFGOYOOSP-VKHMYHEASA-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 (2S)-1-sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-sulfanylpropan-2-ol (CID 10898643) is (2S)-1-sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-sulfanylpropan-2-ol is C[C@H](O)CS.
What is the InChIKey of (2S)-1-sulfanylpropan-2-ol?
The InChIKey is FETFXNFGOYOOSP-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-sulfanylpropan-2-ol?
(2S)-1-sulfanylpropan-2-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 (2S)-1-sulfanylpropan-2-ol is sourced from PubChem (CID 10898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).