2-(1-methylimidazol-2-yl)sulfanylethanol

C6H10N2OS — CID 2774845

IUPAC2-(1-methylimidazol-2-yl)sulfanylethanol
SMILESCn1ccnc1SCCO
InChIInChI=1S/C6H10N2OS/c1-8-3-2-7-6(8)10-5-4-9/h2-3,9H,4-5H2,1H3
InChIKeyXMHVEJIITNFCBG-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.50
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)sulfanylethanol

2-(1-methylimidazol-2-yl)sulfanylethanol (PubChem CID 2774845) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanylethanol
PubChem CID2774845
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-(1-methylimidazol-2-yl)sulfanylethanol
SMILESCn1ccnc1SCCO
InChIInChI=1S/C6H10N2OS/c1-8-3-2-7-6(8)10-5-4-9/h2-3,9H,4-5H2,1H3
InChIKeyXMHVEJIITNFCBG-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methimazole methyl sulfide
CID 581856
1,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium chloride
CID 196876
3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanoic acid
CID 16791468
3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propanenitrile
CID 658702
O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate
CID 68132
1,3-Dimethyl-2-((2-oxopropyl)thio)imidazolium
CID 196877
1-Methyl-2-methylsulfinyl-imidazole
CID 3009058
Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide
CID 3050297
2-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)ethan-1-ol
CID 43502621
1-(2-Hydroxyethyl)-3-methylimidazolium
CID 11184839
2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 4962504
1-Ethyl-2-(methylthio)-1H-imidazole
CID 12503267

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylethanol (CID 2774845) is 2-(1-methylimidazol-2-yl)sulfanylethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanylethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanylethanol is Cn1ccnc1SCCO.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanylethanol?
The InChIKey is XMHVEJIITNFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-8-3-2-7-6(8)10-5-4-9/h2-3,9H,4-5H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanylethanol?
2-(1-methylimidazol-2-yl)sulfanylethanol has a molecular weight of 158.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanylethanol is sourced from PubChem (CID 2774845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).