1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

C13H22N2OS2 — CID 103345287

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CSC(C)C(C)S1
InChIInChI=1S/C13H22N2OS2/c1-4-15-6-5-14-13(15)7-11(16)12-8-17-9(2)10(3)18-12/h5-6,9-12,16H,4,7-8H2,1-3H3
InChIKeyHXGXAMNZDHWTNG-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.43
Rot. Bonds4

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 103345287) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID103345287
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CSC(C)C(C)S1
InChIInChI=1S/C13H22N2OS2/c1-4-15-6-5-14-13(15)7-11(16)12-8-17-9(2)10(3)18-12/h5-6,9-12,16H,4,7-8H2,1-3H3
InChIKeyHXGXAMNZDHWTNG-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 106601006
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831292
1-[1-(dimethylamino)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanol
CID 79752032
(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622339

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 103345287) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is HXGXAMNZDHWTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-4-15-6-5-14-13(15)7-11(16)12-8-17-9(2)10(3)18-12/h5-6,9-12,16H,4,7-8H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 286.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 103345287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).