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

C4H10O2S — CID 124639620

IUPAC(1S)-1-methoxy-1-sulfanylpropan-1-ol
SMILESCC[C@@](O)(S)OC
InChIInChI=1S/C4H10O2S/c1-3-4(5,7)6-2/h5,7H,3H2,1-2H3/t4-/m0/s1
InChIKeyYAPIPJWERMAGGC-BYPYZUCNSA-N
MW122.19 g/mol
LogP0.62
Rot. Bonds2

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

(1S)-1-methoxy-1-sulfanylpropan-1-ol (PubChem CID 124639620) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is (1S)-1-methoxy-1-sulfanylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-methoxy-1-sulfanylpropan-1-ol
PubChem CID124639620
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Name(1S)-1-methoxy-1-sulfanylpropan-1-ol
SMILESCC[C@@](O)(S)OC
InChIInChI=1S/C4H10O2S/c1-3-4(5,7)6-2/h5,7H,3H2,1-2H3/t4-/m0/s1
InChIKeyYAPIPJWERMAGGC-BYPYZUCNSA-N
XLogP0.62
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.62
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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Related Compounds

1,1-dimethoxypropan-1-ol;methane
CID 157160152
2-methoxybutane-1,2-diol
CID 88761953
3-ethylhex-4-en-3-ol
CID 54219311
trimethoxymethanol
CID 22386239
1-trimethoxysilylpropane-1,1-dithiol
CID 19012739
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
2,2,2-trimethoxyethanol;zirconium
CID 87320991
1-methoxypropane-1,1-diolate
CID 86748448
3-(sulfanylmethyl)pentan-3-ol
CID 54311594
1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
CID 154212707
3-ethyl-2-methoxypent-1-en-3-ol
CID 89149604
1,1-diiodopropan-1-ol
CID 54306694

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-1-sulfanylpropan-1-ol?
The IUPAC name of (1S)-1-methoxy-1-sulfanylpropan-1-ol (CID 124639620) is (1S)-1-methoxy-1-sulfanylpropan-1-ol.
What is the SMILES notation for (1S)-1-methoxy-1-sulfanylpropan-1-ol?
The canonical SMILES for (1S)-1-methoxy-1-sulfanylpropan-1-ol is CC[C@@](O)(S)OC.
What is the InChIKey of (1S)-1-methoxy-1-sulfanylpropan-1-ol?
The InChIKey is YAPIPJWERMAGGC-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10O2S/c1-3-4(5,7)6-2/h5,7H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-methoxy-1-sulfanylpropan-1-ol?
(1S)-1-methoxy-1-sulfanylpropan-1-ol has a molecular weight of 122.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-1-sulfanylpropan-1-ol is sourced from PubChem (CID 124639620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).