5-(2-ethenylphenyl)sulfanyl-2H-tetrazole

C9H8N4S — CID 88797674

IUPAC5-(2-ethenylphenyl)sulfanyl-2H-tetrazole
SMILESC=Cc1ccccc1Sc1nn[nH]n1
InChIInChI=1S/C9H8N4S/c1-2-7-5-3-4-6-8(7)14-9-10-12-13-11-9/h2-6H,1H2,(H,10,11,12,13)
InChIKeyBKPQCCYNLHWTFZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.99
Rot. Bonds3

About 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole

5-(2-ethenylphenyl)sulfanyl-2H-tetrazole (PubChem CID 88797674) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole.

Molecular Properties

Compound Name5-(2-ethenylphenyl)sulfanyl-2H-tetrazole
PubChem CID88797674
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name5-(2-ethenylphenyl)sulfanyl-2H-tetrazole
SMILESC=Cc1ccccc1Sc1nn[nH]n1
InChIInChI=1S/C9H8N4S/c1-2-7-5-3-4-6-8(7)14-9-10-12-13-11-9/h2-6H,1H2,(H,10,11,12,13)
InChIKeyBKPQCCYNLHWTFZ-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole?
The IUPAC name of 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole (CID 88797674) is 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole.
What is the SMILES notation for 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole?
The canonical SMILES for 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole is C=Cc1ccccc1Sc1nn[nH]n1.
What is the InChIKey of 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole?
The InChIKey is BKPQCCYNLHWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-2-7-5-3-4-6-8(7)14-9-10-12-13-11-9/h2-6H,1H2,(H,10,11,12,13).
What are the key properties of 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole?
5-(2-ethenylphenyl)sulfanyl-2H-tetrazole has a molecular weight of 204.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenylphenyl)sulfanyl-2H-tetrazole is sourced from PubChem (CID 88797674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).