5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole

C15H13BrN4S — CID 2615935

IUPAC5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4S/c1-11-2-8-14(9-3-11)20-15(17-18-19-20)21-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyCGJANOZOOWKWCK-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.03
Rot. Bonds4

About 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole

5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (PubChem CID 2615935) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
PubChem CID2615935
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC Name5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4S/c1-11-2-8-14(9-3-11)20-15(17-18-19-20)21-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyCGJANOZOOWKWCK-UHFFFAOYSA-N
XLogP4.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
5-[(4-bromophenyl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 598194
5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 26240693
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
CID 52727680
5-[(4-bromophenyl)methylsulfanyl]-1-propan-2-yltetrazole
CID 52520760
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
7-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidine
CID 7118920
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
CID 7856912
1-(5-bromothiophen-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 9407874
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole (CID 2615935) is 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2ccc(Br)cc2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
The InChIKey is CGJANOZOOWKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c1-11-2-8-14(9-3-11)20-15(17-18-19-20)21-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole?
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole has a molecular weight of 361.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 2615935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).