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

C3H6O4S — CID 59377073

IUPAC(4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESC[C@@H]1COS(=O)(=O)O1
InChIInChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3/t3-/m1/s1
InChIKeyOQXNUCOGMMHHNA-GSVOUGTGSA-N
MW138.14 g/mol
LogP-0.33
Rot. Bonds

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

(4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 59377073) has the molecular formula C3H6O4S and a molecular weight of 138.14 g/mol. Its IUPAC name is (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name(4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID59377073
Molecular FormulaC3H6O4S
Molecular Weight138.14 g/mol
Exact Mass138.00
IUPAC Name(4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESC[C@@H]1COS(=O)(=O)O1
InChIInChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3/t3-/m1/s1
InChIKeyOQXNUCOGMMHHNA-GSVOUGTGSA-N
XLogP-0.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propylene sulfite
CID 15117
4-Methyl-1,3,2-dioxathiolane 2,2-Dioxide
CID 9964107
(4R,5R)-4,5-dimethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 11008102
(4R)-4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10909753
(4S,5S)-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 13545565
(4S)-4-ethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 71534127
4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 351569
1,3,2-Dioxathiolane, 4-ethyl-, 2,2-dioxide
CID 14594672
4-Fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146298824
4-Fluoro-4-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 153305187
4-(Fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 170361089
(5S)-4-fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 174270302

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide (CID 59377073) is (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide is C[C@@H]1COS(=O)(=O)O1.
What is the InChIKey of (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is OQXNUCOGMMHHNA-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide?
(4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 138.14 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 59377073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).