5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole

C20H16N4OS — CID 2231014

IUPAC5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESc1ccc(Oc2cccc(CSc3nnnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16N4OS/c1-3-9-17(10-4-1)24-20(21-22-23-24)26-15-16-8-7-13-19(14-16)25-18-11-5-2-6-12-18/h1-14H,15H2
InChIKeyCNUSRNXFMXQLCQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.75
Rot. Bonds6

About 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole

5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole (PubChem CID 2231014) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
PubChem CID2231014
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESc1ccc(Oc2cccc(CSc3nnnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16N4OS/c1-3-9-17(10-4-1)24-20(21-22-23-24)26-15-16-8-7-13-19(14-16)25-18-11-5-2-6-12-18/h1-14H,15H2
InChIKeyCNUSRNXFMXQLCQ-UHFFFAOYSA-N
XLogP4.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-(2-Phenoxyethylsulfanyl)-1-phenyltetrazole
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5-[2-(4-Ethoxyphenoxy)ethylsulfanyl]-1-phenyltetrazole
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2-Propanol, 1-phenoxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)-
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CID 6485926
5-[(4-Methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 773480
5-(benzylthio)-1-(2-methoxyphenyl)-1H-tetrazole
CID 864192
4-[5-[(3-Methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
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5-[2-(2-Methoxyphenoxy)ethylthio]-1-(4-methylphenyl)tetrazole
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5-[(3-Methoxyphenyl)methylsulfonyl]-1-phenyltetrazole
CID 9548435
N,N-dimethyl-4-[5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazol-1-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole (CID 2231014) is 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole is c1ccc(Oc2cccc(CSc3nnnn3-c3ccccc3)c2)cc1.
What is the InChIKey of 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The InChIKey is CNUSRNXFMXQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-3-9-17(10-4-1)24-20(21-22-23-24)26-15-16-8-7-13-19(14-16)25-18-11-5-2-6-12-18/h1-14H,15H2.
What are the key properties of 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole has a molecular weight of 360.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 2231014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).