2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide

C8H14O4S3 — CID 90401979

IUPAC2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1SC1CCCS1(=O)=O
InChIInChI=1S/C8H14O4S3/c9-14(10)5-1-3-7(14)13-8-4-2-6-15(8,11)12/h7-8H,1-6H2
InChIKeyQAHXBUGLZGGVEM-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.79
Rot. Bonds2

About 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide

2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide (PubChem CID 90401979) has the molecular formula C8H14O4S3 and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide
PubChem CID90401979
Molecular FormulaC8H14O4S3
Molecular Weight270.40 g/mol
Exact Mass270.01
IUPAC Name2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1SC1CCCS1(=O)=O
InChIInChI=1S/C8H14O4S3/c9-14(10)5-1-3-7(14)13-8-4-2-6-15(8,11)12/h7-8H,1-6H2
InChIKeyQAHXBUGLZGGVEM-UHFFFAOYSA-N
XLogP0.79
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide (CID 90401979) is 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide is O=S1(=O)CCCC1SC1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide?
The InChIKey is QAHXBUGLZGGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S3/c9-14(10)5-1-3-7(14)13-8-4-2-6-15(8,11)12/h7-8H,1-6H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide?
2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide has a molecular weight of 270.40 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)sulfanylthiolane 1,1-dioxide is sourced from PubChem (CID 90401979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).