4-naphthalen-2-ylsulfanyl-2H-triazole

C12H9N3S — CID 155653449

IUPAC4-naphthalen-2-ylsulfanyl-2H-triazole
SMILESc1ccc2cc(Sc3cn[nH]n3)ccc2c1
InChIInChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-8-13-15-14-12/h1-8H,(H,13,14,15)
InChIKeyZQUHXEMOQVWSPW-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.11
Rot. Bonds2

About 4-naphthalen-2-ylsulfanyl-2H-triazole

4-naphthalen-2-ylsulfanyl-2H-triazole (PubChem CID 155653449) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfanyl-2H-triazole.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfanyl-2H-triazole
PubChem CID155653449
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-naphthalen-2-ylsulfanyl-2H-triazole
SMILESc1ccc2cc(Sc3cn[nH]n3)ccc2c1
InChIInChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-8-13-15-14-12/h1-8H,(H,13,14,15)
InChIKeyZQUHXEMOQVWSPW-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-((4-(trifluoromethyl)phen-yl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653463
5-(o-tolylthio)-1H-1,2,3-triazole-4-carboxylic acid
CID 54277032
5-(p-tolylthio)-1H-1,2,3-triazole-4-carboxylic acid
CID 57226453
5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole
CID 67643243
4-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2H-triazole
CID 155653364
4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole
CID 155653393
pentafluoro-[4-[4-(2H-triazol-4-ylsulfanylmethyl)phenyl]phenyl]-lambda6-sulfane
CID 155653484
4-[[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]methylsulfanyl]-2H-triazole
CID 155653494
4-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]sulfanyl-2H-triazole
CID 155653559
pentafluoro-[4-[4-(2H-triazol-4-ylsulfanyl)phenyl]phenyl]-lambda6-sulfane
CID 155653583
4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-2H-triazole
CID 71920664
4-tritylsulfanyl-2H-triazole
CID 54257050

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfanyl-2H-triazole?
The IUPAC name of 4-naphthalen-2-ylsulfanyl-2H-triazole (CID 155653449) is 4-naphthalen-2-ylsulfanyl-2H-triazole.
What is the SMILES notation for 4-naphthalen-2-ylsulfanyl-2H-triazole?
The canonical SMILES for 4-naphthalen-2-ylsulfanyl-2H-triazole is c1ccc2cc(Sc3cn[nH]n3)ccc2c1.
What is the InChIKey of 4-naphthalen-2-ylsulfanyl-2H-triazole?
The InChIKey is ZQUHXEMOQVWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-8-13-15-14-12/h1-8H,(H,13,14,15).
What are the key properties of 4-naphthalen-2-ylsulfanyl-2H-triazole?
4-naphthalen-2-ylsulfanyl-2H-triazole has a molecular weight of 227.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfanyl-2H-triazole is sourced from PubChem (CID 155653449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).