3-(4-methylphenyl)sulfinylpyridine

C12H11NOS — CID 10512966

IUPAC3-(4-methylphenyl)sulfinylpyridine
SMILESCc1ccc(S(=O)c2cccnc2)cc1
InChIInChI=1S/C12H11NOS/c1-10-4-6-11(7-5-10)15(14)12-3-2-8-13-9-12/h2-9H,1H3
InChIKeyPLMHJMIABVLQTC-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.56
Rot. Bonds2

About 3-(4-methylphenyl)sulfinylpyridine

3-(4-methylphenyl)sulfinylpyridine (PubChem CID 10512966) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfinylpyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfinylpyridine
PubChem CID10512966
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-(4-methylphenyl)sulfinylpyridine
SMILESCc1ccc(S(=O)c2cccnc2)cc1
InChIInChI=1S/C12H11NOS/c1-10-4-6-11(7-5-10)15(14)12-3-2-8-13-9-12/h2-9H,1H3
InChIKeyPLMHJMIABVLQTC-UHFFFAOYSA-N
XLogP2.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-tert-butylsulfinyl]pyridine
CID 11644037
methyl pyridine-3-sulfinate
CID 18713773
sodium pyridine-3-sulfinic acid
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N,N-dimethyl-3-(4-methylphenyl)sulfinylpyridin-4-amine
CID 72998814
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide
CID 145075553
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
acetic acid;3-propan-2-ylsulfinylpyridine
CID 174749831
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
3-methylpyridine;4-methylpyridine
CID 21425791

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfinylpyridine?
The IUPAC name of 3-(4-methylphenyl)sulfinylpyridine (CID 10512966) is 3-(4-methylphenyl)sulfinylpyridine.
What is the SMILES notation for 3-(4-methylphenyl)sulfinylpyridine?
The canonical SMILES for 3-(4-methylphenyl)sulfinylpyridine is Cc1ccc(S(=O)c2cccnc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfinylpyridine?
The InChIKey is PLMHJMIABVLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-10-4-6-11(7-5-10)15(14)12-3-2-8-13-9-12/h2-9H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfinylpyridine?
3-(4-methylphenyl)sulfinylpyridine has a molecular weight of 217.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfinylpyridine is sourced from PubChem (CID 10512966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).