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

C5H9IN2S — CID 141146937

IUPAC2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole
SMILESCCSC1=NCCN1I
InChIInChI=1S/C5H9IN2S/c1-2-9-5-7-3-4-8(5)6/h2-4H2,1H3
InChIKeyBJZPTYMDQFSGOH-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.76
Rot. Bonds1

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

2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole (PubChem CID 141146937) has the molecular formula C5H9IN2S and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole
PubChem CID141146937
Molecular FormulaC5H9IN2S
Molecular Weight256.11 g/mol
Exact Mass255.95
IUPAC Name2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole
SMILESCCSC1=NCCN1I
InChIInChI=1S/C5H9IN2S/c1-2-9-5-7-3-4-8(5)6/h2-4H2,1H3
InChIKeyBJZPTYMDQFSGOH-UHFFFAOYSA-N
XLogP1.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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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-Ethylthio-2-imidazoline hydroiodide
CID 24201677
2-Dimethylaminothiazoline
CID 12217249
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
5-Methyl-2-N-methylethylamino-2-thiazoline
CID 588515
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione
CID 22097466
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 45088552

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole?
The IUPAC name of 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole (CID 141146937) is 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole is CCSC1=NCCN1I.
What is the InChIKey of 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole?
The InChIKey is BJZPTYMDQFSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN2S/c1-2-9-5-7-3-4-8(5)6/h2-4H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole?
2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole has a molecular weight of 256.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-iodo-4,5-dihydroimidazole is sourced from PubChem (CID 141146937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).