[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol

C14H15NOS — CID 80651359

IUPAC[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
SMILESCc1ccc(C)c(Sc2ccc(CO)cn2)c1
InChIInChI=1S/C14H15NOS/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(9-16)8-15-14/h3-8,16H,9H2,1-2H3
InChIKeyGAZNFZWQBCHWIL-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.34
Rot. Bonds3

About [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol

[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol (PubChem CID 80651359) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
PubChem CID80651359
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
SMILESCc1ccc(C)c(Sc2ccc(CO)cn2)c1
InChIInChI=1S/C14H15NOS/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(9-16)8-15-14/h3-8,16H,9H2,1-2H3
InChIKeyGAZNFZWQBCHWIL-UHFFFAOYSA-N
XLogP3.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
CID 114055373
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651278
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
CID 107762118
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
CID 80650862
[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
CID 80650607
ethane;(4-methyl-3-methylsulfanylphenyl)methanol
CID 143859740
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
3-(2,5-dimethylphenyl)sulfanylbenzo[g]quinoxaline
CID 70163910
[5-(2,5-dimethylphenyl)sulfanylthiophen-2-yl]methanol
CID 107365237
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol (CID 80651359) is [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol is Cc1ccc(C)c(Sc2ccc(CO)cn2)c1.
What is the InChIKey of [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol?
The InChIKey is GAZNFZWQBCHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(9-16)8-15-14/h3-8,16H,9H2,1-2H3.
What are the key properties of [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol?
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol has a molecular weight of 245.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol is sourced from PubChem (CID 80651359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).