2,4,6-trimethylthian-4-ol

C8H16OS — CID 59881911

IUPAC2,4,6-trimethylthian-4-ol
SMILESCC1CC(C)(O)CC(C)S1
InChIInChI=1S/C8H16OS/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3
InChIKeyCJTVGDSIEOLZAJ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.04
Rot. Bonds

About 2,4,6-trimethylthian-4-ol

2,4,6-trimethylthian-4-ol (PubChem CID 59881911) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2,4,6-trimethylthian-4-ol.

Molecular Properties

Compound Name2,4,6-trimethylthian-4-ol
PubChem CID59881911
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2,4,6-trimethylthian-4-ol
SMILESCC1CC(C)(O)CC(C)S1
InChIInChI=1S/C8H16OS/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3
InChIKeyCJTVGDSIEOLZAJ-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylthian-4-ol?
The IUPAC name of 2,4,6-trimethylthian-4-ol (CID 59881911) is 2,4,6-trimethylthian-4-ol.
What is the SMILES notation for 2,4,6-trimethylthian-4-ol?
The canonical SMILES for 2,4,6-trimethylthian-4-ol is CC1CC(C)(O)CC(C)S1.
What is the InChIKey of 2,4,6-trimethylthian-4-ol?
The InChIKey is CJTVGDSIEOLZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6-4-8(3,9)5-7(2)10-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethylthian-4-ol?
2,4,6-trimethylthian-4-ol has a molecular weight of 160.28 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylthian-4-ol is sourced from PubChem (CID 59881911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).