3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide

C11H11BrN2O2S2 — CID 647292

IUPAC3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide
SMILESO=S1(=O)C=CC(Sc2nc3ccccc3[nH]2)C1.[Br-].[H+]
InChIInChI=1S/C11H10N2O2S2.BrH/c14-17(15)6-5-8(7-17)16-11-12-9-3-1-2-4-10(9)13-11;/h1-6,8H,7H2,(H,12,13);1H
InChIKeyRBHNFNFLLVVCBF-UHFFFAOYSA-N
MW347.26 g/mol
LogP-0.92
Rot. Bonds2

About 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide

3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide (PubChem CID 647292) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide
PubChem CID647292
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide
SMILESO=S1(=O)C=CC(Sc2nc3ccccc3[nH]2)C1.[Br-].[H+]
InChIInChI=1S/C11H10N2O2S2.BrH/c14-17(15)6-5-8(7-17)16-11-12-9-3-1-2-4-10(9)13-11;/h1-6,8H,7H2,(H,12,13);1H
InChIKeyRBHNFNFLLVVCBF-UHFFFAOYSA-N
XLogP-0.92
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
CID 2897324
4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-2,3-dihydrothiophene 1,1-dioxide
CID 3804960
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
1-amino-3-(1H-benzimidazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654615
3-(1H-benzimidazol-2-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42652894
2-[[(1R,3S,4R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]sulfanyl]-1H-benzimidazole
CID 102451382
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
(NE)-N-[2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 6264734
2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621497
(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 40543877
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79645068

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide (CID 647292) is 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide is O=S1(=O)C=CC(Sc2nc3ccccc3[nH]2)C1.[Br-].[H+].
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide?
The InChIKey is RBHNFNFLLVVCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2.BrH/c14-17(15)6-5-8(7-17)16-11-12-9-3-1-2-4-10(9)13-11;/h1-6,8H,7H2,(H,12,13);1H.
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide?
3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide has a molecular weight of 347.26 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide is sourced from PubChem (CID 647292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).