(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol

C4H10O2S — CID 164541980

IUPAC(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol
SMILES[2H]C([2H])([2H])OC[C@@H](O)CS
InChIInChI=1S/C4H10O2S/c1-6-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-/m1/s1/i1D3
InChIKeyORGQUCCTTDAMOK-YLSDRZBNSA-N
MW125.21 g/mol
LogP-0.08
Rot. Bonds4

About (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol

(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol (PubChem CID 164541980) has the molecular formula C4H10O2S and a molecular weight of 125.21 g/mol. Its IUPAC name is (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol
PubChem CID164541980
Molecular FormulaC4H10O2S
Molecular Weight125.21 g/mol
Exact Mass125.06
IUPAC Name(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol
SMILES[2H]C([2H])([2H])OC[C@@H](O)CS
InChIInChI=1S/C4H10O2S/c1-6-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-/m1/s1/i1D3
InChIKeyORGQUCCTTDAMOK-YLSDRZBNSA-N
XLogP-0.08
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol?
The IUPAC name of (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol (CID 164541980) is (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol is [2H]C([2H])([2H])OC[C@@H](O)CS.
What is the InChIKey of (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol?
The InChIKey is ORGQUCCTTDAMOK-YLSDRZBNSA-N. The full InChI is InChI=1S/C4H10O2S/c1-6-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-/m1/s1/i1D3.
What are the key properties of (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol?
(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol has a molecular weight of 125.21 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol is sourced from PubChem (CID 164541980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).