5-(2-phenylsulfanylethyl)-2H-tetrazole

C9H10N4S — CID 79222377

IUPAC5-(2-phenylsulfanylethyl)-2H-tetrazole
SMILESc1ccc(SCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4S/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)
InChIKeySSUYNCCUYKICOM-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.53
Rot. Bonds4

About 5-(2-phenylsulfanylethyl)-2H-tetrazole

5-(2-phenylsulfanylethyl)-2H-tetrazole (PubChem CID 79222377) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(2-phenylsulfanylethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-phenylsulfanylethyl)-2H-tetrazole
PubChem CID79222377
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(2-phenylsulfanylethyl)-2H-tetrazole
SMILESc1ccc(SCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4S/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)
InChIKeySSUYNCCUYKICOM-UHFFFAOYSA-N
XLogP1.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylsulfanylethyl)-2H-tetrazole?
The IUPAC name of 5-(2-phenylsulfanylethyl)-2H-tetrazole (CID 79222377) is 5-(2-phenylsulfanylethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-phenylsulfanylethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-phenylsulfanylethyl)-2H-tetrazole is c1ccc(SCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-(2-phenylsulfanylethyl)-2H-tetrazole?
The InChIKey is SSUYNCCUYKICOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13).
What are the key properties of 5-(2-phenylsulfanylethyl)-2H-tetrazole?
5-(2-phenylsulfanylethyl)-2H-tetrazole has a molecular weight of 206.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylsulfanylethyl)-2H-tetrazole is sourced from PubChem (CID 79222377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).