7-oxa-2-thiaspiro[3.4]octane

C6H10OS — CID 66760140

IUPAC7-oxa-2-thiaspiro[3.4]octane
SMILESC1CC2(CO1)CSC2
InChIInChI=1S/C6H10OS/c1-2-7-3-6(1)4-8-5-6/h1-5H2
InChIKeyTZJCHPJAIAODQY-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.14
Rot. Bonds

About 7-oxa-2-thiaspiro[3.4]octane

7-oxa-2-thiaspiro[3.4]octane (PubChem CID 66760140) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 7-oxa-2-thiaspiro[3.4]octane.

Molecular Properties

Compound Name7-oxa-2-thiaspiro[3.4]octane
PubChem CID66760140
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name7-oxa-2-thiaspiro[3.4]octane
SMILESC1CC2(CO1)CSC2
InChIInChI=1S/C6H10OS/c1-2-7-3-6(1)4-8-5-6/h1-5H2
InChIKeyTZJCHPJAIAODQY-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-thiaspiro[3.4]octane?
The IUPAC name of 7-oxa-2-thiaspiro[3.4]octane (CID 66760140) is 7-oxa-2-thiaspiro[3.4]octane.
What is the SMILES notation for 7-oxa-2-thiaspiro[3.4]octane?
The canonical SMILES for 7-oxa-2-thiaspiro[3.4]octane is C1CC2(CO1)CSC2.
What is the InChIKey of 7-oxa-2-thiaspiro[3.4]octane?
The InChIKey is TZJCHPJAIAODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-7-3-6(1)4-8-5-6/h1-5H2.
What are the key properties of 7-oxa-2-thiaspiro[3.4]octane?
7-oxa-2-thiaspiro[3.4]octane has a molecular weight of 130.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-thiaspiro[3.4]octane is sourced from PubChem (CID 66760140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).