1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole

C10H9N5S — CID 102131559

IUPAC1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
SMILESCn1cc(Sc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C10H9N5S/c1-15-6-9(16-10-11-13-14-12-10)7-4-2-3-5-8(7)15/h2-6H,1H3,(H,11,12,13,14)
InChIKeyAREIFNDMPJHHNA-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole

1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole (PubChem CID 102131559) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole.

Molecular Properties

Compound Name1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
PubChem CID102131559
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
SMILESCn1cc(Sc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C10H9N5S/c1-15-6-9(16-10-11-13-14-12-10)7-4-2-3-5-8(7)15/h2-6H,1H3,(H,11,12,13,14)
InChIKeyAREIFNDMPJHHNA-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
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2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
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triethyl-(1-methylindol-3-yl)silane
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole?
The IUPAC name of 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole (CID 102131559) is 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole.
What is the SMILES notation for 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole?
The canonical SMILES for 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole is Cn1cc(Sc2nn[nH]n2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole?
The InChIKey is AREIFNDMPJHHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-15-6-9(16-10-11-13-14-12-10)7-4-2-3-5-8(7)15/h2-6H,1H3,(H,11,12,13,14).
What are the key properties of 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole?
1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole has a molecular weight of 231.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole is sourced from PubChem (CID 102131559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).