(3R,4R)-4-methylsulfanyloxyoxolan-3-ol

C5H10O3S — CID 167184845

IUPAC(3R,4R)-4-methylsulfanyloxyoxolan-3-ol
SMILESCSO[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H10O3S/c1-9-8-5-3-7-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyXHIUJWXCUBOAEB-RFZPGFLSSA-N
MW150.20 g/mol
LogP0.04
Rot. Bonds2

About (3R,4R)-4-methylsulfanyloxyoxolan-3-ol

(3R,4R)-4-methylsulfanyloxyoxolan-3-ol (PubChem CID 167184845) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3R,4R)-4-methylsulfanyloxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methylsulfanyloxyoxolan-3-ol
PubChem CID167184845
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(3R,4R)-4-methylsulfanyloxyoxolan-3-ol
SMILESCSO[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H10O3S/c1-9-8-5-3-7-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyXHIUJWXCUBOAEB-RFZPGFLSSA-N
XLogP0.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methylsulfanyloxyoxolan-3-ol?
The IUPAC name of (3R,4R)-4-methylsulfanyloxyoxolan-3-ol (CID 167184845) is (3R,4R)-4-methylsulfanyloxyoxolan-3-ol.
What is the SMILES notation for (3R,4R)-4-methylsulfanyloxyoxolan-3-ol?
The canonical SMILES for (3R,4R)-4-methylsulfanyloxyoxolan-3-ol is CSO[C@@H]1COC[C@H]1O.
What is the InChIKey of (3R,4R)-4-methylsulfanyloxyoxolan-3-ol?
The InChIKey is XHIUJWXCUBOAEB-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9-8-5-3-7-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-4-methylsulfanyloxyoxolan-3-ol?
(3R,4R)-4-methylsulfanyloxyoxolan-3-ol has a molecular weight of 150.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methylsulfanyloxyoxolan-3-ol is sourced from PubChem (CID 167184845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).