(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone

C19H15NOS — CID 102546721

IUPAC(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C19H15NOS/c21-19(16-9-5-2-6-10-16)17-11-12-18(20-13-17)22-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyRVZSBZQLLHQFRT-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.60
Rot. Bonds5

About (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone

(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone (PubChem CID 102546721) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone
PubChem CID102546721
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C19H15NOS/c21-19(16-9-5-2-6-10-16)17-11-12-18(20-13-17)22-14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKeyRVZSBZQLLHQFRT-UHFFFAOYSA-N
XLogP4.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-benzylsulfanyl-3-pyridinyl)prop-2-enenitrile
CID 142548359
(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
CID 102546554
6-(pyridin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 61299527
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
6-[(2-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61299156
5-benzoylpyridine-2-carboxylic acid
CID 165358123
6-[(2-chloro-4-pyridinyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 62469621
6-[(2,6-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 114929992
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606
6-[(3-bromo-5-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 79704274
methyl 2-benzylsulfanylpyrimidine-5-carboxylate
CID 57450173
2-benzylsulfanyl-5-bromopyridine;5-bromo-2-chloropyridine
CID 160822537

Frequently Asked Questions

What is the IUPAC name of (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone (CID 102546721) is (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(SCc2ccccc2)nc1.
What is the InChIKey of (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone?
The InChIKey is RVZSBZQLLHQFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c21-19(16-9-5-2-6-10-16)17-11-12-18(20-13-17)22-14-15-7-3-1-4-8-15/h1-13H,14H2.
What are the key properties of (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone?
(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone has a molecular weight of 305.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzylsulfanyl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 102546721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).