1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol

C12H16N2O2S2 — CID 110879206

IUPAC1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1SCC(O)COCc1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3
InChIKeyJHRGRANPWJDAML-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.15
Rot. Bonds7

About 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 110879206) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID110879206
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1SCC(O)COCc1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3
InChIKeyJHRGRANPWJDAML-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 110879206) is 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol is Cn1ccnc1SCC(O)COCc1cccs1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is JHRGRANPWJDAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 284.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110879206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).