1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole

C11H14N4OS — CID 817293

IUPAC1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole
SMILESCOc1ccc(-n2nnnc2SC(C)C)cc1
InChIInChI=1S/C11H14N4OS/c1-8(2)17-11-12-13-14-15(11)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3
InChIKeyWOOVBTKPDCEBJZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole

1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole (PubChem CID 817293) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole
PubChem CID817293
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole
SMILESCOc1ccc(-n2nnnc2SC(C)C)cc1
InChIInChI=1S/C11H14N4OS/c1-8(2)17-11-12-13-14-15(11)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3
InChIKeyWOOVBTKPDCEBJZ-UHFFFAOYSA-N
XLogP2.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole (CID 817293) is 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole is COc1ccc(-n2nnnc2SC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole?
The InChIKey is WOOVBTKPDCEBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(2)17-11-12-13-14-15(11)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole?
1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole has a molecular weight of 250.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-propan-2-ylsulfanyltetrazole is sourced from PubChem (CID 817293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).