4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide

C10H16O6S3 — CID 89314003

IUPAC4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESC=CCS(=O)CC1OS(=O)(=O)OC1CS(=O)CC=C
InChIInChI=1S/C10H16O6S3/c1-3-5-17(11)7-9-10(8-18(12)6-4-2)16-19(13,14)15-9/h3-4,9-10H,1-2,5-8H2
InChIKeyQJNOZFPGWQBKCC-UHFFFAOYSA-N
MW328.43 g/mol
LogP-0.12
Rot. Bonds8

About 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide

4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 89314003) has the molecular formula C10H16O6S3 and a molecular weight of 328.43 g/mol. Its IUPAC name is 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID89314003
Molecular FormulaC10H16O6S3
Molecular Weight328.43 g/mol
Exact Mass328.01
IUPAC Name4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESC=CCS(=O)CC1OS(=O)(=O)OC1CS(=O)CC=C
InChIInChI=1S/C10H16O6S3/c1-3-5-17(11)7-9-10(8-18(12)6-4-2)16-19(13,14)15-9/h3-4,9-10H,1-2,5-8H2
InChIKeyQJNOZFPGWQBKCC-UHFFFAOYSA-N
XLogP-0.12
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 89314003) is 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is C=CCS(=O)CC1OS(=O)(=O)OC1CS(=O)CC=C.
What is the InChIKey of 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is QJNOZFPGWQBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S3/c1-3-5-17(11)7-9-10(8-18(12)6-4-2)16-19(13,14)15-9/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 328.43 g/mol, XLogP of -0.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-2-enylsulfinylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 89314003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).