1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole

C10H12N2O2S2 — CID 2148541

IUPAC1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2S2/c1-15-10-11-7-8-12(10)16(13,14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyGJSBJHCIBMQYJJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds2

About 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole

1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 2148541) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID2148541
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2S2/c1-15-10-11-7-8-12(10)16(13,14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyGJSBJHCIBMQYJJ-UHFFFAOYSA-N
XLogP1.41
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylthio)-1-tosyl-4,5-dihydro-1H-imidazole
CID 731318
2-(benzenesulfonylsulfanyl)-4,5-dihydro-1H-imidazole
CID 270393
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(phenylsulfonyl)benzenesulfonamide
CID 648293
1-(Benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148549
1-((4-chlorophenyl)sulfonyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731321
1-(4-fluorobenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 2148543
1-(4-Chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148551
2-(ethylthio)-1-((4-fluorophenyl)sulfonyl)-4,5-dihydro-1H-imidazole
CID 2148553
(NZ)-N-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 9634370
1-(4-Iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
CID 1327583
methyl N-(benzenesulfonyl)pyrrolidine-1-carboximidothioate
CID 2803717
methyl N-(benzenesulfonyl)-N'-(2-tert-butylsulfanylethyl)carbamimidothioate
CID 2805175

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole (CID 2148541) is 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is GJSBJHCIBMQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-15-10-11-7-8-12(10)16(13,14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 256.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).