(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol

C12H12OS2 — CID 63813796

IUPAC(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
SMILESCc1cc(Sc2cccs2)ccc1CO
InChIInChI=1S/C12H12OS2/c1-9-7-11(5-4-10(9)8-13)15-12-3-2-6-14-12/h2-7,13H,8H2,1H3
InChIKeyQDTBQHSTIYPUNH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.70
Rot. Bonds3

About (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol

(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol (PubChem CID 63813796) has the molecular formula C12H12OS2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
PubChem CID63813796
Molecular FormulaC12H12OS2
Molecular Weight236.36 g/mol
Exact Mass236.03
IUPAC Name(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
SMILESCc1cc(Sc2cccs2)ccc1CO
InChIInChI=1S/C12H12OS2/c1-9-7-11(5-4-10(9)8-13)15-12-3-2-6-14-12/h2-7,13H,8H2,1H3
InChIKeyQDTBQHSTIYPUNH-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol?
The IUPAC name of (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol (CID 63813796) is (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol.
What is the SMILES notation for (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol?
The canonical SMILES for (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol is Cc1cc(Sc2cccs2)ccc1CO.
What is the InChIKey of (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol?
The InChIKey is QDTBQHSTIYPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS2/c1-9-7-11(5-4-10(9)8-13)15-12-3-2-6-14-12/h2-7,13H,8H2,1H3.
What are the key properties of (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol?
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol has a molecular weight of 236.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol is sourced from PubChem (CID 63813796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).