1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol

C8H12OS3 — CID 15404857

IUPAC1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESCSCC(O)CSc1cccs1
InChIInChI=1S/C8H12OS3/c1-10-5-7(9)6-12-8-3-2-4-11-8/h2-4,7,9H,5-6H2,1H3
InChIKeyFOJFEQOTUOZKOR-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.56
Rot. Bonds5

About 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol

1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 15404857) has the molecular formula C8H12OS3 and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID15404857
Molecular FormulaC8H12OS3
Molecular Weight220.38 g/mol
Exact Mass220.01
IUPAC Name1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESCSCC(O)CSc1cccs1
InChIInChI=1S/C8H12OS3/c1-10-5-7(9)6-12-8-3-2-4-11-8/h2-4,7,9H,5-6H2,1H3
InChIKeyFOJFEQOTUOZKOR-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol (CID 15404857) is 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol is CSCC(O)CSc1cccs1.
What is the InChIKey of 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is FOJFEQOTUOZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS3/c1-10-5-7(9)6-12-8-3-2-4-11-8/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol?
1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 220.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 15404857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).