1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole

C9H8ClFN4S — CID 14551620

IUPAC1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole
SMILESCCSc1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C9H8ClFN4S/c1-2-16-9-12-13-14-15(9)8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
InChIKeyOLCWJSRTKGZYDM-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole

1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole (PubChem CID 14551620) has the molecular formula C9H8ClFN4S and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole
PubChem CID14551620
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole
SMILESCCSc1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C9H8ClFN4S/c1-2-16-9-12-13-14-15(9)8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
InChIKeyOLCWJSRTKGZYDM-UHFFFAOYSA-N
XLogP2.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole (CID 14551620) is 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole is CCSc1nnnn1-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole?
The InChIKey is OLCWJSRTKGZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c1-2-16-9-12-13-14-15(9)8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole?
1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole has a molecular weight of 258.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5-ethylsulfanyltetrazole is sourced from PubChem (CID 14551620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).