1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole

C10H9ClN4S — CID 5011706

IUPAC1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole
SMILESC=CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4S/c1-2-7-16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h2-6H,1,7H2
InChIKeyVEUDRYBQZTXQSC-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole

1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole (PubChem CID 5011706) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole
PubChem CID5011706
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole
SMILESC=CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4S/c1-2-7-16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h2-6H,1,7H2
InChIKeyVEUDRYBQZTXQSC-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole (CID 5011706) is 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole is C=CCSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole?
The InChIKey is VEUDRYBQZTXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-2-7-16-10-12-13-14-15(10)9-5-3-8(11)4-6-9/h2-6H,1,7H2.
What are the key properties of 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole?
1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole has a molecular weight of 252.73 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-prop-2-enylsulfanyltetrazole is sourced from PubChem (CID 5011706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).