1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole

C9H9ClN4S — CID 2892293

IUPAC1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H9ClN4S/c1-6-3-4-7(5-8(6)10)14-9(15-2)11-12-13-14/h3-5H,1-2H3
InChIKeyZONIAFHTAHGIPJ-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole

1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole (PubChem CID 2892293) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole
PubChem CID2892293
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H9ClN4S/c1-6-3-4-7(5-8(6)10)14-9(15-2)11-12-13-14/h3-5H,1-2H3
InChIKeyZONIAFHTAHGIPJ-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chloro-4-methyl-phenyl)-1H-tetrazole
CID 781449
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
2-[1-(4-Methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
5-[(2-Chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
1-(4-chlorophenyl)-5-(methylthio)-1H-tetrazole
CID 1243254
5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2795813
5-Benzylsulfanyl-1-(3,4-dichlorophenyl)tetrazole
CID 6483374
1-(3-Chloro-phenyl)-5-(4-fluoro-benzylsulfanyl)-1H-tetrazole
CID 572917
Tetrazole, 5-(4-chlorobenzylthio)-1-(3-chloro-4-fluorophenyl)-
CID 580401
5-[(2-chlorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
CID 701401
5-Benzylsulfanyl-1-(4-chlorophenyl)tetrazole
CID 6483372

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole (CID 2892293) is 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole is CSc1nnnn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole?
The InChIKey is ZONIAFHTAHGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-3-4-7(5-8(6)10)14-9(15-2)11-12-13-14/h3-5H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole?
1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole has a molecular weight of 240.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 2892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).