(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide

C3H6O3S — CID 131107979

IUPAC(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@@H]1COS(=O)O1
InChIInChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3/t3-,7?/m1/s1
InChIKeySJHAYVFVKRXMKG-BGWBRYIUSA-N
MW122.14 g/mol
LogP0.00
Rot. Bonds

About (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide

(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 131107979) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide
PubChem CID131107979
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@@H]1COS(=O)O1
InChIInChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3/t3-,7?/m1/s1
InChIKeySJHAYVFVKRXMKG-BGWBRYIUSA-N
XLogP0.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide (CID 131107979) is (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide is C[C@@H]1COS(=O)O1.
What is the InChIKey of (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is SJHAYVFVKRXMKG-BGWBRYIUSA-N. The full InChI is InChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3/t3-,7?/m1/s1.
What are the key properties of (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide?
(4R)-4-methyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 122.14 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 131107979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).