[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol

C13H14OS2 — CID 107365237

IUPAC[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol
SMILESCc1ccc(C)c(Sc2ccc(CO)s2)c1
InChIInChI=1S/C13H14OS2/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3
InChIKeyIUZISQSKVBXMKK-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.01
Rot. Bonds3

About [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol

[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol (PubChem CID 107365237) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol
PubChem CID107365237
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol
SMILESCc1ccc(C)c(Sc2ccc(CO)s2)c1
InChIInChI=1S/C13H14OS2/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3
InChIKeyIUZISQSKVBXMKK-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol
CID 82079376
3-[5-(hydroxymethyl)thiophen-2-yl]sulfanylpropane-1,2-diol
CID 107365375
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
CID 107365242
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
CID 62869932
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
[5-(2-methoxy-5-methylphenyl)thiophen-2-yl]methanol
CID 82083127
1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone
CID 104651891
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
[5-(5-tert-butyl-2-methylphenyl)thiophen-2-yl]methanol
CID 82090304

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol?
The IUPAC name of [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol (CID 107365237) is [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol.
What is the SMILES notation for [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol?
The canonical SMILES for [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol is Cc1ccc(C)c(Sc2ccc(CO)s2)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol?
The InChIKey is IUZISQSKVBXMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS2/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3.
What are the key properties of [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol?
[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol has a molecular weight of 250.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol is sourced from PubChem (CID 107365237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).