5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole

C6H9BrN4S — CID 43445926

IUPAC5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
SMILESBrCCSc1nnnn1C1CC1
InChIInChI=1S/C6H9BrN4S/c7-3-4-12-6-8-9-10-11(6)5-1-2-5/h5H,1-4H2
InChIKeyJDBGCXJGOCMZKG-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.50
Rot. Bonds4

About 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole

5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole (PubChem CID 43445926) has the molecular formula C6H9BrN4S and a molecular weight of 249.14 g/mol. Its IUPAC name is 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
PubChem CID43445926
Molecular FormulaC6H9BrN4S
Molecular Weight249.14 g/mol
Exact Mass247.97
IUPAC Name5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
SMILESBrCCSc1nnnn1C1CC1
InChIInChI=1S/C6H9BrN4S/c7-3-4-12-6-8-9-10-11(6)5-1-2-5/h5H,1-4H2
InChIKeyJDBGCXJGOCMZKG-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35363829
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386414
1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
CID 86801024
1-cyclopropyl-5-(3,3-diethoxypropylsulfanyl)tetrazole
CID 63628121
N-tert-butyl-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-amine
CID 62578301
N-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
CID 62578082
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylhexan-2-amine
CID 64649345
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole?
The IUPAC name of 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole (CID 43445926) is 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole.
What is the SMILES notation for 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole?
The canonical SMILES for 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole is BrCCSc1nnnn1C1CC1.
What is the InChIKey of 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole?
The InChIKey is JDBGCXJGOCMZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4S/c7-3-4-12-6-8-9-10-11(6)5-1-2-5/h5H,1-4H2.
What are the key properties of 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole?
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole has a molecular weight of 249.14 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole is sourced from PubChem (CID 43445926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).