1,3,2,4-dioxadithiecane 2,2-dioxide

C6H12O4S2 — CID 169086256

IUPAC1,3,2,4-dioxadithiecane 2,2-dioxide
SMILESO=S1(=O)OCCCCCCSO1
InChIInChI=1S/C6H12O4S2/c7-12(8)9-5-3-1-2-4-6-11-10-12/h1-6H2
InChIKeyAINOWMWUJNYXOS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds

About 1,3,2,4-dioxadithiecane 2,2-dioxide

1,3,2,4-dioxadithiecane 2,2-dioxide (PubChem CID 169086256) has the molecular formula C6H12O4S2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,3,2,4-dioxadithiecane 2,2-dioxide.

Molecular Properties

Compound Name1,3,2,4-dioxadithiecane 2,2-dioxide
PubChem CID169086256
Molecular FormulaC6H12O4S2
Molecular Weight212.29 g/mol
Exact Mass212.02
IUPAC Name1,3,2,4-dioxadithiecane 2,2-dioxide
SMILESO=S1(=O)OCCCCCCSO1
InChIInChI=1S/C6H12O4S2/c7-12(8)9-5-3-1-2-4-6-11-10-12/h1-6H2
InChIKeyAINOWMWUJNYXOS-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3,2,4-dioxadithiecane 2,2-dioxide 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

1-oxa-2λ6-thiacycloundecane 2,2-dioxide
CID 140634565
1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
CID 154094068
oxathiane;sulfur trioxide
CID 70345174
oxane;thiane
CID 67464677
4-deuteriooxathiane 2,2-dioxide
CID 175841659
1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
CID 172854846
oxathiane;1,4-oxathiane
CID 163516955
1,2,4,3-trioxathiane 3,3-dioxide;hydrate
CID 174833431
3-fluorooxathiepane 2,2-dioxide
CID 89251516
1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione
CID 14268111
1,13-dioxa-7-thiacyclotritriacontane-2,12-dione
CID 90993492
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896

Frequently Asked Questions

What is the IUPAC name of 1,3,2,4-dioxadithiecane 2,2-dioxide?
The IUPAC name of 1,3,2,4-dioxadithiecane 2,2-dioxide (CID 169086256) is 1,3,2,4-dioxadithiecane 2,2-dioxide.
What is the SMILES notation for 1,3,2,4-dioxadithiecane 2,2-dioxide?
The canonical SMILES for 1,3,2,4-dioxadithiecane 2,2-dioxide is O=S1(=O)OCCCCCCSO1.
What is the InChIKey of 1,3,2,4-dioxadithiecane 2,2-dioxide?
The InChIKey is AINOWMWUJNYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S2/c7-12(8)9-5-3-1-2-4-6-11-10-12/h1-6H2.
What are the key properties of 1,3,2,4-dioxadithiecane 2,2-dioxide?
1,3,2,4-dioxadithiecane 2,2-dioxide has a molecular weight of 212.29 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2,4-dioxadithiecane 2,2-dioxide is sourced from PubChem (CID 169086256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).