1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole

C10H12N4S — CID 60519571

IUPAC1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C10H12N4S/c1-7-5-4-6-9(8(7)2)14-10(15-3)11-12-13-14/h4-6H,1-3H3
InChIKeyCLVRKDZSFHLOPJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole

1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole (PubChem CID 60519571) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
PubChem CID60519571
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C10H12N4S/c1-7-5-4-6-9(8(7)2)14-10(15-3)11-12-13-14/h4-6H,1-3H3
InChIKeyCLVRKDZSFHLOPJ-UHFFFAOYSA-N
XLogP2.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole (CID 60519571) is 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole is CSc1nnnn1-c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole?
The InChIKey is CLVRKDZSFHLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-5-4-6-9(8(7)2)14-10(15-3)11-12-13-14/h4-6H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole?
1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole has a molecular weight of 220.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 60519571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).