3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide

C12H12N2O2S2 — CID 2897324

IUPAC3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N2O2S2/c1-8-6-18(15,16)7-11(8)17-12-13-9-4-2-3-5-10(9)14-12/h2-6,11H,7H2,1H3,(H,13,14)
InChIKeyYDOBTXFMQMFKGH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds2

About 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide

3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 2897324) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID2897324
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N2O2S2/c1-8-6-18(15,16)7-11(8)17-12-13-9-4-2-3-5-10(9)14-12/h2-6,11H,7H2,1H3,(H,13,14)
InChIKeyYDOBTXFMQMFKGH-UHFFFAOYSA-N
XLogP2.36
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-2,3-dihydrothiophene 1,1-dioxide
CID 3804960
3-(1H-benzimidazol-2-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide;hydron;bromide
CID 647292
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
3-(1H-benzimidazol-2-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42652894
(NE)-N-[2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 6264734
(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 40543877
5-(1H-benzimidazol-2-ylsulfanyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 102066972
2-[[(1R,3S,4R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]sulfanyl]-1H-benzimidazole
CID 102451382
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79645068
(3R)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]oxolan-2-one
CID 7247501
(3S,5R)-5-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]oxolan-2-one
CID 51458074

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide (CID 2897324) is 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide is CC1=CS(=O)(=O)CC1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is YDOBTXFMQMFKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8-6-18(15,16)7-11(8)17-12-13-9-4-2-3-5-10(9)14-12/h2-6,11H,7H2,1H3,(H,13,14).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide?
3-(1H-benzimidazol-2-ylsulfanyl)-4-methyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 280.37 g/mol, XLogP of 2.36, 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)-4-methyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 2897324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).