6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium

C9H11N2S+ — CID 4746504

IUPAC6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
SMILESCSc1[nH]c2cc(C)ccc2[nH+]1
InChIInChI=1S/C9H10N2S/c1-6-3-4-7-8(5-6)11-9(10-7)12-2/h3-5H,1-2H3,(H,10,11)/p+1
InChIKeyCSBXMMFTIUOIHE-UHFFFAOYSA-O
MW179.27 g/mol
LogP2.01
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium

6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium (PubChem CID 4746504) has the molecular formula C9H11N2S+ and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
PubChem CID4746504
Molecular FormulaC9H11N2S+
Molecular Weight179.27 g/mol
Exact Mass179.06
IUPAC Name6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
SMILESCSc1[nH]c2cc(C)ccc2[nH+]1
InChIInChI=1S/C9H10N2S/c1-6-3-4-7-8(5-6)11-9(10-7)12-2/h3-5H,1-2H3,(H,10,11)/p+1
InChIKeyCSBXMMFTIUOIHE-UHFFFAOYSA-O
XLogP2.01
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium
CID 4226830
2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4226828
3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143364643
6-methyl-1H-benzimidazol-3-ium
CID 58064884
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
2-fluoro-6-methyl-1H-indole
CID 150508639
3,6-dimethyl-9H-carbazole
CID 144942624
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
6-methyl-2-methylsulfanyl-1H-quinolin-4-one
CID 14319845
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
3-methyl-5H-phenanthridin-6-one
CID 59877971

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium?
The IUPAC name of 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium (CID 4746504) is 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium?
The canonical SMILES for 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium is CSc1[nH]c2cc(C)ccc2[nH+]1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium?
The InChIKey is CSBXMMFTIUOIHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N2S/c1-6-3-4-7-8(5-6)11-9(10-7)12-2/h3-5H,1-2H3,(H,10,11)/p+1.
What are the key properties of 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium?
6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium has a molecular weight of 179.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium is sourced from PubChem (CID 4746504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).