methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate

C7H12N2O2S — CID 23255761

IUPACmethyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
SMILESCCSC1=NCCN1C(=O)OC
InChIInChI=1S/C7H12N2O2S/c1-3-12-6-8-4-5-9(6)7(10)11-2/h3-5H2,1-2H3
InChIKeyIGISPUHXTPSLSQ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.18
Rot. Bonds1

About methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate

methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate (PubChem CID 23255761) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
PubChem CID23255761
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namemethyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate
SMILESCCSC1=NCCN1C(=O)OC
InChIInChI=1S/C7H12N2O2S/c1-3-12-6-8-4-5-9(6)7(10)11-2/h3-5H2,1-2H3
InChIKeyIGISPUHXTPSLSQ-UHFFFAOYSA-N
XLogP1.18
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate (CID 23255761) is methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate is CCSC1=NCCN1C(=O)OC.
What is the InChIKey of methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is IGISPUHXTPSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-12-6-8-4-5-9(6)7(10)11-2/h3-5H2,1-2H3.
What are the key properties of methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate?
methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 188.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylsulfanyl-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 23255761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).