(1S)-1-methoxy-3-sulfanylpropan-1-ol

C4H10O2S — CID 122683345

IUPAC(1S)-1-methoxy-3-sulfanylpropan-1-ol
SMILESCO[C@H](O)CCS
InChIInChI=1S/C4H10O2S/c1-6-4(5)2-3-7/h4-5,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyGNESXIHWAQIMLU-BYPYZUCNSA-N
MW122.19 g/mol
LogP0.27
Rot. Bonds3

About (1S)-1-methoxy-3-sulfanylpropan-1-ol

(1S)-1-methoxy-3-sulfanylpropan-1-ol (PubChem CID 122683345) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is (1S)-1-methoxy-3-sulfanylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-methoxy-3-sulfanylpropan-1-ol
PubChem CID122683345
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name(1S)-1-methoxy-3-sulfanylpropan-1-ol
SMILESCO[C@H](O)CCS
InChIInChI=1S/C4H10O2S/c1-6-4(5)2-3-7/h4-5,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyGNESXIHWAQIMLU-BYPYZUCNSA-N
XLogP0.27
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-3-sulfanylpropan-1-ol?
The IUPAC name of (1S)-1-methoxy-3-sulfanylpropan-1-ol (CID 122683345) is (1S)-1-methoxy-3-sulfanylpropan-1-ol.
What is the SMILES notation for (1S)-1-methoxy-3-sulfanylpropan-1-ol?
The canonical SMILES for (1S)-1-methoxy-3-sulfanylpropan-1-ol is CO[C@H](O)CCS.
What is the InChIKey of (1S)-1-methoxy-3-sulfanylpropan-1-ol?
The InChIKey is GNESXIHWAQIMLU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10O2S/c1-6-4(5)2-3-7/h4-5,7H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-methoxy-3-sulfanylpropan-1-ol?
(1S)-1-methoxy-3-sulfanylpropan-1-ol has a molecular weight of 122.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-3-sulfanylpropan-1-ol is sourced from PubChem (CID 122683345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).