5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole

C11H11BrN4S — CID 52727680

IUPAC5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
SMILESC=C(Br)CSc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C11H11BrN4S/c1-8-3-5-10(6-4-8)16-11(13-14-15-16)17-7-9(2)12/h3-6H,2,7H2,1H3
InChIKeyKNLRCGQKNXRJED-UHFFFAOYSA-N
MW311.21 g/mol
LogP2.97
Rot. Bonds4

About 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole

5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole (PubChem CID 52727680) has the molecular formula C11H11BrN4S and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
PubChem CID52727680
Molecular FormulaC11H11BrN4S
Molecular Weight311.21 g/mol
Exact Mass309.99
IUPAC Name5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
SMILESC=C(Br)CSc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C11H11BrN4S/c1-8-3-5-10(6-4-8)16-11(13-14-15-16)17-7-9(2)12/h3-6H,2,7H2,1H3
InChIKeyKNLRCGQKNXRJED-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
1-(2,5-dimethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615658
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propylphenyl)ethanone
CID 9407655
1-(5-bromothiophen-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 9407874
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole (CID 52727680) is 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole is C=C(Br)CSc1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole?
The InChIKey is KNLRCGQKNXRJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S/c1-8-3-5-10(6-4-8)16-11(13-14-15-16)17-7-9(2)12/h3-6H,2,7H2,1H3.
What are the key properties of 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole?
5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole has a molecular weight of 311.21 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 52727680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).