5-(2-ethylsulfanylphenyl)-1-methyltetrazole

C10H12N4S — CID 14179828

IUPAC5-(2-ethylsulfanylphenyl)-1-methyltetrazole
SMILESCCSc1ccccc1-c1nnnn1C
InChIInChI=1S/C10H12N4S/c1-3-15-9-7-5-4-6-8(9)10-11-12-13-14(10)2/h4-7H,3H2,1-2H3
InChIKeyIJTKVZXBFFNIMD-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.99
Rot. Bonds3

About 5-(2-ethylsulfanylphenyl)-1-methyltetrazole

5-(2-ethylsulfanylphenyl)-1-methyltetrazole (PubChem CID 14179828) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(2-ethylsulfanylphenyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(2-ethylsulfanylphenyl)-1-methyltetrazole
PubChem CID14179828
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-(2-ethylsulfanylphenyl)-1-methyltetrazole
SMILESCCSc1ccccc1-c1nnnn1C
InChIInChI=1S/C10H12N4S/c1-3-15-9-7-5-4-6-8(9)10-11-12-13-14(10)2/h4-7H,3H2,1-2H3
InChIKeyIJTKVZXBFFNIMD-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole, 1-benzyl-5-(2-thienyl)-
CID 561448
1-Methyl-5-phenyltetrazole
CID 140752
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CID 2123457
1-Methyl-5-(4-methylphenyl)tetrazole
CID 599897
1-ethyl-N,N-dimethyl-3-[2-(methylthio)phenyl]-1H-1,2,4-triazol-5-amine
CID 72887631
1-[(4-Fluorophenyl)methyl]-5-thiophen-3-yltetrazole
CID 23019980
5-Fluoro-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 63667320
2-Fluoro-6-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 79522942
5-(2-Fluorophenyl)-1-(2-methylsulfanylethyl)tetrazole
CID 86792637
2-[5-(2-Ethylsulfanyl-6-fluorophenyl)tetrazol-1-yl]ethanamine
CID 104201388
3-[5-(2-Fluoro-6-methylsulfanylphenyl)tetrazol-1-yl]propan-1-amine
CID 104201389
3-[5-(2-Ethylsulfanyl-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 104201390

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylphenyl)-1-methyltetrazole?
The IUPAC name of 5-(2-ethylsulfanylphenyl)-1-methyltetrazole (CID 14179828) is 5-(2-ethylsulfanylphenyl)-1-methyltetrazole.
What is the SMILES notation for 5-(2-ethylsulfanylphenyl)-1-methyltetrazole?
The canonical SMILES for 5-(2-ethylsulfanylphenyl)-1-methyltetrazole is CCSc1ccccc1-c1nnnn1C.
What is the InChIKey of 5-(2-ethylsulfanylphenyl)-1-methyltetrazole?
The InChIKey is IJTKVZXBFFNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-3-15-9-7-5-4-6-8(9)10-11-12-13-14(10)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-(2-ethylsulfanylphenyl)-1-methyltetrazole?
5-(2-ethylsulfanylphenyl)-1-methyltetrazole has a molecular weight of 220.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylphenyl)-1-methyltetrazole is sourced from PubChem (CID 14179828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).