2-benzylsulfinylpyridine

C12H11NOS — CID 13185049

IUPAC2-benzylsulfinylpyridine
SMILESO=S(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NOS/c14-15(12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyVPRHBJYUMMVAHV-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.39
Rot. Bonds3

About 2-benzylsulfinylpyridine

2-benzylsulfinylpyridine (PubChem CID 13185049) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-benzylsulfinylpyridine.

Molecular Properties

Compound Name2-benzylsulfinylpyridine
PubChem CID13185049
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-benzylsulfinylpyridine
SMILESO=S(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C12H11NOS/c14-15(12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyVPRHBJYUMMVAHV-UHFFFAOYSA-N
XLogP2.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinylpyridine?
The IUPAC name of 2-benzylsulfinylpyridine (CID 13185049) is 2-benzylsulfinylpyridine.
What is the SMILES notation for 2-benzylsulfinylpyridine?
The canonical SMILES for 2-benzylsulfinylpyridine is O=S(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 2-benzylsulfinylpyridine?
The InChIKey is VPRHBJYUMMVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-15(12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfinylpyridine?
2-benzylsulfinylpyridine has a molecular weight of 217.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinylpyridine is sourced from PubChem (CID 13185049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).