1-(4-chlorophenyl)-5-methylsulfanyltetrazole

C8H7ClN4S — CID 1243254

IUPAC1-(4-chlorophenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN4S/c1-14-8-10-11-12-13(8)7-4-2-6(9)3-5-7/h2-5H,1H3
InChIKeySIOLXMFTUFTBDZ-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.04
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methylsulfanyltetrazole

1-(4-chlorophenyl)-5-methylsulfanyltetrazole (PubChem CID 1243254) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methylsulfanyltetrazole
PubChem CID1243254
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name1-(4-chlorophenyl)-5-methylsulfanyltetrazole
SMILESCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN4S/c1-14-8-10-11-12-13(8)7-4-2-6(9)3-5-7/h2-5H,1H3
InChIKeySIOLXMFTUFTBDZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-methylsulfanyltetrazole (CID 1243254) is 1-(4-chlorophenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-methylsulfanyltetrazole is CSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methylsulfanyltetrazole?
The InChIKey is SIOLXMFTUFTBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c1-14-8-10-11-12-13(8)7-4-2-6(9)3-5-7/h2-5H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methylsulfanyltetrazole?
1-(4-chlorophenyl)-5-methylsulfanyltetrazole has a molecular weight of 226.69 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 1243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).