4-propyl-1,3,2-dioxathiolane 2-oxide

C5H10O3S — CID 76560524

IUPAC4-propyl-1,3,2-dioxathiolane 2-oxide
SMILESCCCC1COS(=O)O1
InChIInChI=1S/C5H10O3S/c1-2-3-5-4-7-9(6)8-5/h5H,2-4H2,1H3
InChIKeyBQKBIEUAUMFEQC-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.78
Rot. Bonds2

About 4-propyl-1,3,2-dioxathiolane 2-oxide

4-propyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 76560524) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 4-propyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-propyl-1,3,2-dioxathiolane 2-oxide
PubChem CID76560524
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name4-propyl-1,3,2-dioxathiolane 2-oxide
SMILESCCCC1COS(=O)O1
InChIInChI=1S/C5H10O3S/c1-2-3-5-4-7-9(6)8-5/h5H,2-4H2,1H3
InChIKeyBQKBIEUAUMFEQC-UHFFFAOYSA-N
XLogP0.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propyl-1,3,2-dioxathiolane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 97910
(4R)-4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10909753
(4S)-4-ethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 71534127
1,3,2-Dioxathiolane, 4-propyl-, 2,2-dioxide
CID 12038412
cis-4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994234
(4S,5S)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994236
trans-4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994235
1,3,2-Dioxathiolane, 4-ethyl-, 2,2-dioxide
CID 14594672
4-Fluoro-5-propyl-1,3,2-dioxathiolane 2-oxide
CID 118148724
4-Ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118148725
4-Butyl-1,3,2-dioxathiolane 2,2-dioxide
CID 13547584
4-Ethyl-1,3,2lambda~4~-dioxathiolan-2-one
CID 14594671

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-propyl-1,3,2-dioxathiolane 2-oxide (CID 76560524) is 4-propyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-propyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-propyl-1,3,2-dioxathiolane 2-oxide is CCCC1COS(=O)O1.
What is the InChIKey of 4-propyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is BQKBIEUAUMFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-2-3-5-4-7-9(6)8-5/h5H,2-4H2,1H3.
What are the key properties of 4-propyl-1,3,2-dioxathiolane 2-oxide?
4-propyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 150.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 76560524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).