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

C6H12N2S — CID 163826271

IUPAC2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1C
InChIInChI=1S/C6H12N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3
InChIKeyNZTLYTKMUVDLST-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.04
Rot. Bonds1

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

2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole (PubChem CID 163826271) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole
PubChem CID163826271
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1C
InChIInChI=1S/C6H12N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3
InChIKeyNZTLYTKMUVDLST-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1,3-thiazolidin-2-imine;hydroiodide
CID 90654236
2-(Ethylthio)-4,5-dihydro-1H-imidazole
CID 81756
1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 10396874
1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide
CID 12281505
2,3,5,6-Tetrahydroimidazo[2,1-b]thiazole
CID 11446338
2-Dimethylaminothiazoline
CID 12217249
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
CID 21735
N,3-dimethyl-1,3-thiazolidin-2-imine
CID 13914821
5-Fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 134202148
1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
2-Methylimino-3,5-dimethylthiazolidine
CID 12718849

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole (CID 163826271) is 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole is CCSC1=NCCN1C.
What is the InChIKey of 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is NZTLYTKMUVDLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole?
2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 144.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 163826271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).