7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride

C8H7ClN2O2S2 — CID 131440409

IUPAC7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride
SMILESCSc1cc(S(=O)(=O)Cl)cc2[nH]cnc12
InChIInChI=1S/C8H7ClN2O2S2/c1-14-7-3-5(15(9,12)13)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyBGBXPXWMSKLNEO-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.21
Rot. Bonds2

About 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride

7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride (PubChem CID 131440409) has the molecular formula C8H7ClN2O2S2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride
PubChem CID131440409
Molecular FormulaC8H7ClN2O2S2
Molecular Weight262.74 g/mol
Exact Mass261.96
IUPAC Name7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride
SMILESCSc1cc(S(=O)(=O)Cl)cc2[nH]cnc12
InChIInChI=1S/C8H7ClN2O2S2/c1-14-7-3-5(15(9,12)13)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyBGBXPXWMSKLNEO-UHFFFAOYSA-N
XLogP2.21
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(trifluoromethylsulfanyl)-1H-benzimidazole-4-sulfonyl chloride
CID 131293406
7-amino-3H-benzimidazole-5-sulfonic acid
CID 119093071
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
5-methylsulfanyl-1H-benzimidazole-4-carboxylic acid
CID 131053155
sodium 6-sulfo-1H-benzimidazole-4-sulfonate
CID 141120653
6-methylsulfanyl-3H-benzimidazole-5-carbonyl chloride
CID 130999826
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
(5-methylsulfanyl-1H-benzimidazol-4-yl)methanol
CID 131076999
4-chloro-6-propan-2-yl-1H-benzimidazole
CID 137430140
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131502091
6-methyl-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 45079524
6-chloro-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 67212155

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride (CID 131440409) is 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride is CSc1cc(S(=O)(=O)Cl)cc2[nH]cnc12.
What is the InChIKey of 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride?
The InChIKey is BGBXPXWMSKLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S2/c1-14-7-3-5(15(9,12)13)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride?
7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride has a molecular weight of 262.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-3H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 131440409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).