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

C15H13BrN4S — CID 11291381

IUPAC1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccc(CSc2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4S/c1-11-2-4-12(5-3-11)10-21-15-17-18-19-20(15)14-8-6-13(16)7-9-14/h2-9H,10H2,1H3
InChIKeyUDYFKAHLCZTLQK-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.03
Rot. Bonds4

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

1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole (PubChem CID 11291381) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
PubChem CID11291381
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC Name1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccc(CSc2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4S/c1-11-2-4-12(5-3-11)10-21-15-17-18-19-20(15)14-8-6-13(16)7-9-14/h2-9H,10H2,1H3
InChIKeyUDYFKAHLCZTLQK-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

5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
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 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole (CID 11291381) is 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole is Cc1ccc(CSc2nnnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole?
The InChIKey is UDYFKAHLCZTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c1-11-2-4-12(5-3-11)10-21-15-17-18-19-20(15)14-8-6-13(16)7-9-14/h2-9H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole?
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]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 1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 11291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).