(2-ethylsulfanyl-1H-imidazol-5-yl)methanol

C6H10N2OS — CID 20623530

IUPAC(2-ethylsulfanyl-1H-imidazol-5-yl)methanol
SMILESCCSc1ncc(CO)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-10-6-7-3-5(4-9)8-6/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyNRQVERNYIUQXEG-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.01
Rot. Bonds3

About (2-ethylsulfanyl-1H-imidazol-5-yl)methanol

(2-ethylsulfanyl-1H-imidazol-5-yl)methanol (PubChem CID 20623530) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (2-ethylsulfanyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-ethylsulfanyl-1H-imidazol-5-yl)methanol
PubChem CID20623530
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(2-ethylsulfanyl-1H-imidazol-5-yl)methanol
SMILESCCSc1ncc(CO)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-10-6-7-3-5(4-9)8-6/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyNRQVERNYIUQXEG-UHFFFAOYSA-N
XLogP1.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-ethylsulfanyl-1H-imidazol-5-yl)methanol (CID 20623530) is (2-ethylsulfanyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-ethylsulfanyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-ethylsulfanyl-1H-imidazol-5-yl)methanol is CCSc1ncc(CO)[nH]1.
What is the InChIKey of (2-ethylsulfanyl-1H-imidazol-5-yl)methanol?
The InChIKey is NRQVERNYIUQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-10-6-7-3-5(4-9)8-6/h3,9H,2,4H2,1H3,(H,7,8).
What are the key properties of (2-ethylsulfanyl-1H-imidazol-5-yl)methanol?
(2-ethylsulfanyl-1H-imidazol-5-yl)methanol has a molecular weight of 158.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 20623530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).