5-benzylsulfanyl-1-phenyltetrazole

C14H12N4S — CID 684006

IUPAC5-benzylsulfanyl-1-phenyltetrazole
SMILESc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyYGJVZCBHFFYTPP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.95
Rot. Bonds4

About 5-benzylsulfanyl-1-phenyltetrazole

5-benzylsulfanyl-1-phenyltetrazole (PubChem CID 684006) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-phenyltetrazole
PubChem CID684006
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name5-benzylsulfanyl-1-phenyltetrazole
SMILESc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyYGJVZCBHFFYTPP-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-phenyltetrazole?
The IUPAC name of 5-benzylsulfanyl-1-phenyltetrazole (CID 684006) is 5-benzylsulfanyl-1-phenyltetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-phenyltetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-phenyltetrazole is c1ccc(CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-benzylsulfanyl-1-phenyltetrazole?
The InChIKey is YGJVZCBHFFYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-benzylsulfanyl-1-phenyltetrazole?
5-benzylsulfanyl-1-phenyltetrazole has a molecular weight of 268.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-phenyltetrazole is sourced from PubChem (CID 684006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).