12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane

C10H16O2S2 — CID 12982838

IUPAC12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane
SMILESS=S1OC2(CCCC2)C2(CCCC2)O1
InChIInChI=1S/C10H16O2S2/c13-14-11-9(5-1-2-6-9)10(12-14)7-3-4-8-10/h1-8H2
InChIKeyJNHFYGXDJCMSJN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds

About 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane

12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane (PubChem CID 12982838) has the molecular formula C10H16O2S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane.

Molecular Properties

Compound Name12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane
PubChem CID12982838
Molecular FormulaC10H16O2S2
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane
SMILESS=S1OC2(CCCC2)C2(CCCC2)O1
InChIInChI=1S/C10H16O2S2/c13-14-11-9(5-1-2-6-9)10(12-14)7-3-4-8-10/h1-8H2
InChIKeyJNHFYGXDJCMSJN-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane?
The IUPAC name of 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane (CID 12982838) is 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane.
What is the SMILES notation for 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane?
The canonical SMILES for 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane is S=S1OC2(CCCC2)C2(CCCC2)O1.
What is the InChIKey of 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane?
The InChIKey is JNHFYGXDJCMSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S2/c13-14-11-9(5-1-2-6-9)10(12-14)7-3-4-8-10/h1-8H2.
What are the key properties of 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane?
12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane has a molecular weight of 232.37 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-sulfanylidene-11,13-dioxa-12lambda4-thiadispiro[4.0.46.35]tridecane is sourced from PubChem (CID 12982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).