5-butylsulfanyl-1-cyclohexyltetrazole

C11H20N4S — CID 78827058

IUPAC5-butylsulfanyl-1-cyclohexyltetrazole
SMILESCCCCSc1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4S/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyCDHMYJZZEXEZTJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP3.07
Rot. Bonds5

About 5-butylsulfanyl-1-cyclohexyltetrazole

5-butylsulfanyl-1-cyclohexyltetrazole (PubChem CID 78827058) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-butylsulfanyl-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-butylsulfanyl-1-cyclohexyltetrazole
PubChem CID78827058
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-butylsulfanyl-1-cyclohexyltetrazole
SMILESCCCCSc1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4S/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyCDHMYJZZEXEZTJ-UHFFFAOYSA-N
XLogP3.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfanyl-1-cyclohexyltetrazole?
The IUPAC name of 5-butylsulfanyl-1-cyclohexyltetrazole (CID 78827058) is 5-butylsulfanyl-1-cyclohexyltetrazole.
What is the SMILES notation for 5-butylsulfanyl-1-cyclohexyltetrazole?
The canonical SMILES for 5-butylsulfanyl-1-cyclohexyltetrazole is CCCCSc1nnnn1C1CCCCC1.
What is the InChIKey of 5-butylsulfanyl-1-cyclohexyltetrazole?
The InChIKey is CDHMYJZZEXEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of 5-butylsulfanyl-1-cyclohexyltetrazole?
5-butylsulfanyl-1-cyclohexyltetrazole has a molecular weight of 240.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfanyl-1-cyclohexyltetrazole is sourced from PubChem (CID 78827058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).