2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol

C12H24OS — CID 58456259

IUPAC2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol
SMILESCC(C)C1(O)CC(C)(C)SC(C)(C)C1
InChIInChI=1S/C12H24OS/c1-9(2)12(13)7-10(3,4)14-11(5,6)8-12/h9,13H,7-8H2,1-6H3
InChIKeyONMPGLWYEAURAD-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.46
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol

2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol (PubChem CID 58456259) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol
PubChem CID58456259
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol
SMILESCC(C)C1(O)CC(C)(C)SC(C)(C)C1
InChIInChI=1S/C12H24OS/c1-9(2)12(13)7-10(3,4)14-11(5,6)8-12/h9,13H,7-8H2,1-6H3
InChIKeyONMPGLWYEAURAD-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol (CID 58456259) is 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol is CC(C)C1(O)CC(C)(C)SC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol?
The InChIKey is ONMPGLWYEAURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-9(2)12(13)7-10(3,4)14-11(5,6)8-12/h9,13H,7-8H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol?
2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol has a molecular weight of 216.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-propan-2-ylthian-4-ol is sourced from PubChem (CID 58456259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).