2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole

C10H9Cl3N2O2S2 — CID 2806746

IUPAC2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O2S2/c1-18-10-14-2-3-15(10)19(16,17)9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3
InChIKeyAFCAWQZZROTRSQ-UHFFFAOYSA-N
MW359.69 g/mol
LogP3.37
Rot. Bonds2

About 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole

2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2806746) has the molecular formula C10H9Cl3N2O2S2 and a molecular weight of 359.69 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2806746
Molecular FormulaC10H9Cl3N2O2S2
Molecular Weight359.69 g/mol
Exact Mass357.92
IUPAC Name2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O2S2/c1-18-10-14-2-3-15(10)19(16,17)9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3
InChIKeyAFCAWQZZROTRSQ-UHFFFAOYSA-N
XLogP3.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole (CID 2806746) is 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole is CSC1=NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is AFCAWQZZROTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2S2/c1-18-10-14-2-3-15(10)19(16,17)9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole?
2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 359.69 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2,4,5-trichlorophenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2806746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).