5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole

C15H12ClFN4S — CID 2615946

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H12ClFN4S/c1-10-5-7-11(8-6-10)21-15(18-19-20-21)22-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3
InChIKeyDVLMCJCBGVSPNA-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.06
Rot. Bonds4

About 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (PubChem CID 2615946) has the molecular formula C15H12ClFN4S and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
PubChem CID2615946
Molecular FormulaC15H12ClFN4S
Molecular Weight334.81 g/mol
Exact Mass334.05
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H12ClFN4S/c1-10-5-7-11(8-6-10)21-15(18-19-20-21)22-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3
InChIKeyDVLMCJCBGVSPNA-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
CID 7561389
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 937547
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 2482236
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 26240693
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 19729170
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 46287737
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole
CID 23407841

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (CID 2615946) is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The InChIKey is DVLMCJCBGVSPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4S/c1-10-5-7-11(8-6-10)21-15(18-19-20-21)22-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole has a molecular weight of 334.81 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 2615946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).