(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol

C9H13NOS — CID 14076694

IUPAC(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol
SMILESCCSc1ccnc(CO)c1C
InChIInChI=1S/C9H13NOS/c1-3-12-9-4-5-10-8(6-11)7(9)2/h4-5,11H,3,6H2,1-2H3
InChIKeyHUPLYFBINRYRTD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.99
Rot. Bonds3

About (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol

(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol (PubChem CID 14076694) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol
PubChem CID14076694
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol
SMILESCCSc1ccnc(CO)c1C
InChIInChI=1S/C9H13NOS/c1-3-12-9-4-5-10-8(6-11)7(9)2/h4-5,11H,3,6H2,1-2H3
InChIKeyHUPLYFBINRYRTD-UHFFFAOYSA-N
XLogP1.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol
CID 18404145
[3-methyl-4-(4-sulfanylbutylsulfanyl)-2-pyridinyl]methanol
CID 54072597
4-ethylsulfanyl-3-methylpyridin-2-amine
CID 142196523
[4-[4-(4-methoxybutoxy)butylsulfanyl]-3-methyl-2-pyridinyl]methanol
CID 139756617
[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
CID 139756453
[3-methyl-4-[3-(pyridin-2-ylmethylsulfanyl)propylsulfanyl]-2-pyridinyl]methanol;[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol;hydrochloride
CID 157407092
6-ethoxy-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 139635715
3-[[2-(chloromethyl)-3-methyl-4-pyridinyl]sulfanyl]propane-1-thiol
CID 141001597
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 11229760
3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine
CID 126480955
(2-ethylsulfanylpyrimidin-4-yl)methanol
CID 119091737
(2-ethylsulfanyl-4-pyridinyl)methanol
CID 130360877

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol?
The IUPAC name of (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol (CID 14076694) is (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol?
The canonical SMILES for (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol is CCSc1ccnc(CO)c1C.
What is the InChIKey of (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol?
The InChIKey is HUPLYFBINRYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-12-9-4-5-10-8(6-11)7(9)2/h4-5,11H,3,6H2,1-2H3.
What are the key properties of (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol?
(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol has a molecular weight of 183.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 14076694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).