2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol

C10H18N2OS — CID 19030942

IUPAC2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCCCn1ccnc1SCC(C)CO
InChIInChI=1S/C10H18N2OS/c1-3-5-12-6-4-11-10(12)14-8-9(2)7-13/h4,6,9,13H,3,5,7-8H2,1-2H3
InChIKeyIHYZGXRFHRBUFT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.01
Rot. Bonds6

About 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol

2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol (PubChem CID 19030942) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol
PubChem CID19030942
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCCCn1ccnc1SCC(C)CO
InChIInChI=1S/C10H18N2OS/c1-3-5-12-6-4-11-10(12)14-8-9(2)7-13/h4,6,9,13H,3,5,7-8H2,1-2H3
InChIKeyIHYZGXRFHRBUFT-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol (CID 19030942) is 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol is CCCn1ccnc1SCC(C)CO.
What is the InChIKey of 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol?
The InChIKey is IHYZGXRFHRBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-12-6-4-11-10(12)14-8-9(2)7-13/h4,6,9,13H,3,5,7-8H2,1-2H3.
What are the key properties of 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol?
2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 19030942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).