2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol

C11H20N2OS — CID 65136113

IUPAC2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCC(C)SCC(O)c1nccn1CC
InChIInChI=1S/C11H20N2OS/c1-4-9(3)15-8-10(14)11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyVBVVSVRQCXOOQB-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.47
Rot. Bonds6

About 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol

2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol (PubChem CID 65136113) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
PubChem CID65136113
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCC(C)SCC(O)c1nccn1CC
InChIInChI=1S/C11H20N2OS/c1-4-9(3)15-8-10(14)11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyVBVVSVRQCXOOQB-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
CID 65136608
2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 103130607
2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol (CID 65136113) is 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol is CCC(C)SCC(O)c1nccn1CC.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is VBVVSVRQCXOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9(3)15-8-10(14)11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol?
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 65136113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).