2-thiaspiro[4.4]nonane

C8H14S — CID 20542465

IUPAC2-thiaspiro[4.4]nonane
SMILESC1CCC2(C1)CCSC2
InChIInChI=1S/C8H14S/c1-2-4-8(3-1)5-6-9-7-8/h1-7H2
InChIKeyYLHHOTTWWILDKP-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.68
Rot. Bonds

About 2-thiaspiro[4.4]nonane

2-thiaspiro[4.4]nonane (PubChem CID 20542465) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-thiaspiro[4.4]nonane.

Molecular Properties

Compound Name2-thiaspiro[4.4]nonane
PubChem CID20542465
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-thiaspiro[4.4]nonane
SMILESC1CCC2(C1)CCSC2
InChIInChI=1S/C8H14S/c1-2-4-8(3-1)5-6-9-7-8/h1-7H2
InChIKeyYLHHOTTWWILDKP-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-thiaspiro[4.4]nonane?
The IUPAC name of 2-thiaspiro[4.4]nonane (CID 20542465) is 2-thiaspiro[4.4]nonane.
What is the SMILES notation for 2-thiaspiro[4.4]nonane?
The canonical SMILES for 2-thiaspiro[4.4]nonane is C1CCC2(C1)CCSC2.
What is the InChIKey of 2-thiaspiro[4.4]nonane?
The InChIKey is YLHHOTTWWILDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-4-8(3-1)5-6-9-7-8/h1-7H2.
What are the key properties of 2-thiaspiro[4.4]nonane?
2-thiaspiro[4.4]nonane has a molecular weight of 142.27 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiaspiro[4.4]nonane is sourced from PubChem (CID 20542465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).