(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

C4H8O3S — CID 6994234

IUPAC(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@@H]1OS(=O)O[C@@H]1C
InChIInChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4+,8?
InChIKeySAPINXZHMGNTEC-OBLUMXEWSA-N
MW136.17 g/mol
LogP0.39
Rot. Bonds

About (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 6994234) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
PubChem CID6994234
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
SMILESC[C@@H]1OS(=O)O[C@@H]1C
InChIInChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4+,8?
InChIKeySAPINXZHMGNTEC-OBLUMXEWSA-N
XLogP0.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propylene sulfite
CID 15117
Diisopropyl Sulfite
CID 536816
(4R,5R)-4,5-dimethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 11008102
4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 97910
(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
(4S,5S)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994236
4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 351569
trans-4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994235
1,3,2-Dioxathiolane, 4-ethyl-, 2,2-dioxide
CID 14594672
(4R,5S)-4,5-Dimethyl-[1,3,2]dioxathiolane 2,2-dioxide
CID 11073602

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide (CID 6994234) is (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide is C[C@@H]1OS(=O)O[C@@H]1C.
What is the InChIKey of (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is SAPINXZHMGNTEC-OBLUMXEWSA-N. The full InChI is InChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3/t3-,4+,8?.
What are the key properties of (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide?
(4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 136.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 6994234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).