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

C15H12BrFN4S — CID 26240693

IUPAC5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H12BrFN4S/c1-10-2-6-13(7-3-10)21-15(18-19-20-21)22-9-11-4-5-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyAYBIKPXZSVORGF-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.16
Rot. Bonds4

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

5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (PubChem CID 26240693) has the molecular formula C15H12BrFN4S and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
PubChem CID26240693
Molecular FormulaC15H12BrFN4S
Molecular Weight379.26 g/mol
Exact Mass378.00
IUPAC Name5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H12BrFN4S/c1-10-2-6-13(7-3-10)21-15(18-19-20-21)22-9-11-4-5-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyAYBIKPXZSVORGF-UHFFFAOYSA-N
XLogP4.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615946
5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
CID 52727680
4-methoxy-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzaldehyde
CID 46479320
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
CID 1389211
6-ethyl-7-hydroxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one
CID 9407845
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (CID 26240693) is 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2ccc(F)cc2Br)cc1.
What is the InChIKey of 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The InChIKey is AYBIKPXZSVORGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4S/c1-10-2-6-13(7-3-10)21-15(18-19-20-21)22-9-11-4-5-12(17)8-14(11)16/h2-8H,9H2,1H3.
What are the key properties of 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole has a molecular weight of 379.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 26240693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).