1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole

C15H11F3N4OS — CID 52561620

IUPAC1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
SMILESFC(F)(F)Oc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H11F3N4OS/c16-15(17,18)23-13-8-6-11(7-9-13)10-24-14-19-20-21-22(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyWYMQLCLUGXXGSU-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.85
Rot. Bonds5

About 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole

1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole (PubChem CID 52561620) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
PubChem CID52561620
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
SMILESFC(F)(F)Oc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H11F3N4OS/c16-15(17,18)23-13-8-6-11(7-9-13)10-24-14-19-20-21-22(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyWYMQLCLUGXXGSU-UHFFFAOYSA-N
XLogP3.85
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole?
The IUPAC name of 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole (CID 52561620) is 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole is FC(F)(F)Oc1ccc(CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole?
The InChIKey is WYMQLCLUGXXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c16-15(17,18)23-13-8-6-11(7-9-13)10-24-14-19-20-21-22(14)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole?
1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole has a molecular weight of 352.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole is sourced from PubChem (CID 52561620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).