(2-ethylsulfanyl-4-pyridinyl)methanol

C8H11NOS — CID 130360877

IUPAC(2-ethylsulfanyl-4-pyridinyl)methanol
SMILESCCSc1cc(CO)ccn1
InChIInChI=1S/C8H11NOS/c1-2-11-8-5-7(6-10)3-4-9-8/h3-5,10H,2,6H2,1H3
InChIKeyAVAAVPZKRPPJCE-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.69
Rot. Bonds3

About (2-ethylsulfanyl-4-pyridinyl)methanol

(2-ethylsulfanyl-4-pyridinyl)methanol (PubChem CID 130360877) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (2-ethylsulfanyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-ethylsulfanyl-4-pyridinyl)methanol
PubChem CID130360877
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(2-ethylsulfanyl-4-pyridinyl)methanol
SMILESCCSc1cc(CO)ccn1
InChIInChI=1S/C8H11NOS/c1-2-11-8-5-7(6-10)3-4-9-8/h3-5,10H,2,6H2,1H3
InChIKeyAVAAVPZKRPPJCE-UHFFFAOYSA-N
XLogP1.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-4-pyridinyl)methanol?
The IUPAC name of (2-ethylsulfanyl-4-pyridinyl)methanol (CID 130360877) is (2-ethylsulfanyl-4-pyridinyl)methanol.
What is the SMILES notation for (2-ethylsulfanyl-4-pyridinyl)methanol?
The canonical SMILES for (2-ethylsulfanyl-4-pyridinyl)methanol is CCSc1cc(CO)ccn1.
What is the InChIKey of (2-ethylsulfanyl-4-pyridinyl)methanol?
The InChIKey is AVAAVPZKRPPJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-11-8-5-7(6-10)3-4-9-8/h3-5,10H,2,6H2,1H3.
What are the key properties of (2-ethylsulfanyl-4-pyridinyl)methanol?
(2-ethylsulfanyl-4-pyridinyl)methanol has a molecular weight of 169.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-4-pyridinyl)methanol is sourced from PubChem (CID 130360877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).