methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate

C10H9FN4O2S — CID 713656

IUPACmethyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O2S/c1-17-9(16)6-18-10-12-13-14-15(10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyYXXBQTULRIGBBS-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate

methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 713656) has the molecular formula C10H9FN4O2S and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID713656
Molecular FormulaC10H9FN4O2S
Molecular Weight268.27 g/mol
Exact Mass268.04
IUPAC Namemethyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O2S/c1-17-9(16)6-18-10-12-13-14-15(10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyYXXBQTULRIGBBS-UHFFFAOYSA-N
XLogP1.07
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate (CID 713656) is methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate is COC(=O)CSc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is YXXBQTULRIGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2S/c1-17-9(16)6-18-10-12-13-14-15(10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 268.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 713656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).