6-methyl-1-thiaspiro[3.4]octane

C8H14S — CID 130381704

IUPAC6-methyl-1-thiaspiro[3.4]octane
SMILESCC1CCC2(CCS2)C1
InChIInChI=1S/C8H14S/c1-7-2-3-8(6-7)4-5-9-8/h7H,2-6H2,1H3
InChIKeyGDAJBNJLTVQSGB-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.68
Rot. Bonds

About 6-methyl-1-thiaspiro[3.4]octane

6-methyl-1-thiaspiro[3.4]octane (PubChem CID 130381704) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 6-methyl-1-thiaspiro[3.4]octane.

Molecular Properties

Compound Name6-methyl-1-thiaspiro[3.4]octane
PubChem CID130381704
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name6-methyl-1-thiaspiro[3.4]octane
SMILESCC1CCC2(CCS2)C1
InChIInChI=1S/C8H14S/c1-7-2-3-8(6-7)4-5-9-8/h7H,2-6H2,1H3
InChIKeyGDAJBNJLTVQSGB-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 6-methyl-1-thiaspiro[3.4]octane?
The IUPAC name of 6-methyl-1-thiaspiro[3.4]octane (CID 130381704) is 6-methyl-1-thiaspiro[3.4]octane.
What is the SMILES notation for 6-methyl-1-thiaspiro[3.4]octane?
The canonical SMILES for 6-methyl-1-thiaspiro[3.4]octane is CC1CCC2(CCS2)C1.
What is the InChIKey of 6-methyl-1-thiaspiro[3.4]octane?
The InChIKey is GDAJBNJLTVQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-2-3-8(6-7)4-5-9-8/h7H,2-6H2,1H3.
What are the key properties of 6-methyl-1-thiaspiro[3.4]octane?
6-methyl-1-thiaspiro[3.4]octane 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 6-methyl-1-thiaspiro[3.4]octane is sourced from PubChem (CID 130381704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).