1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol

C9H16N2OS — CID 63976892

IUPAC1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol
SMILESCCn1ccnc1C(O)CCSC
InChIInChI=1S/C9H16N2OS/c1-3-11-6-5-10-9(11)8(12)4-7-13-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyONPPEWFANWWMOE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.69
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol

1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol (PubChem CID 63976892) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol
PubChem CID63976892
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol
SMILESCCn1ccnc1C(O)CCSC
InChIInChI=1S/C9H16N2OS/c1-3-11-6-5-10-9(11)8(12)4-7-13-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyONPPEWFANWWMOE-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol (CID 63976892) is 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol is CCn1ccnc1C(O)CCSC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol?
The InChIKey is ONPPEWFANWWMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-11-6-5-10-9(11)8(12)4-7-13-2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol?
1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 63976892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).