2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide

C9H16OS — CID 91497335

IUPAC2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide
SMILESCC1=CS(=O)C(C)(C)CC1C
InChIInChI=1S/C9H16OS/c1-7-5-9(3,4)11(10)6-8(7)2/h6-7H,5H2,1-4H3
InChIKeyLUYQHWUAGJCGLF-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.46
Rot. Bonds

About 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide

2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide (PubChem CID 91497335) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide
PubChem CID91497335
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide
SMILESCC1=CS(=O)C(C)(C)CC1C
InChIInChI=1S/C9H16OS/c1-7-5-9(3,4)11(10)6-8(7)2/h6-7H,5H2,1-4H3
InChIKeyLUYQHWUAGJCGLF-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide?
The IUPAC name of 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide (CID 91497335) is 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide.
What is the SMILES notation for 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide?
The canonical SMILES for 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide is CC1=CS(=O)C(C)(C)CC1C.
What is the InChIKey of 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide?
The InChIKey is LUYQHWUAGJCGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7-5-9(3,4)11(10)6-8(7)2/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide?
2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide has a molecular weight of 172.29 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-3,4-dihydrothiopyran 1-oxide is sourced from PubChem (CID 91497335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).