2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol

C15H16ClNOS — CID 107504561

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)CSc2ccccc2Cl)cc(C)n1
InChIInChI=1S/C15H16ClNOS/c1-10-7-12(8-11(2)17-10)14(18)9-19-15-6-4-3-5-13(15)16/h3-8,14,18H,9H2,1-2H3
InChIKeyCHGKWPAFFVOQGD-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol (PubChem CID 107504561) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
PubChem CID107504561
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)CSc2ccccc2Cl)cc(C)n1
InChIInChI=1S/C15H16ClNOS/c1-10-7-12(8-11(2)17-10)14(18)9-19-15-6-4-3-5-13(15)16/h3-8,14,18H,9H2,1-2H3
InChIKeyCHGKWPAFFVOQGD-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol (CID 107504561) is 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol is Cc1cc(C(O)CSc2ccccc2Cl)cc(C)n1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The InChIKey is CHGKWPAFFVOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-10-7-12(8-11(2)17-10)14(18)9-19-15-6-4-3-5-13(15)16/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol has a molecular weight of 293.82 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol is sourced from PubChem (CID 107504561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).