4-(2,4-dimethylphenyl)sulfanyl-2H-triazole

C10H11N3S — CID 155653462

IUPAC4-(2,4-dimethylphenyl)sulfanyl-2H-triazole
SMILESCc1ccc(Sc2cn[nH]n2)c(C)c1
InChIInChI=1S/C10H11N3S/c1-7-3-4-9(8(2)5-7)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyKYLCOODNCNUJHJ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.57
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole

4-(2,4-dimethylphenyl)sulfanyl-2H-triazole (PubChem CID 155653462) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanyl-2H-triazole
PubChem CID155653462
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(2,4-dimethylphenyl)sulfanyl-2H-triazole
SMILESCc1ccc(Sc2cn[nH]n2)c(C)c1
InChIInChI=1S/C10H11N3S/c1-7-3-4-9(8(2)5-7)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyKYLCOODNCNUJHJ-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.57
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
1H-1,2,3-Triazole, 5-[(phenylmethyl)thio]-
CID 12894696
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-benzylsulfinyl-2H-triazole
CID 44267304
4-[(4-Methylphenyl)sulfonyl]-2h-1,2,3-triazole
CID 275838
1-H-5-Thiobenzyl-1,2,3-triazole
CID 10012465
Mesitylenesulfonyl-3-nitrotriazole
CID 18790429
Mesitylsulfonyltriazole
CID 53761461
4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole
CID 71853988
4-[(2-fluorophenyl)methylsulfanyl]-2H-triazole
CID 56735015

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole (CID 155653462) is 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole is Cc1ccc(Sc2cn[nH]n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole?
The InChIKey is KYLCOODNCNUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-3-4-9(8(2)5-7)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole?
4-(2,4-dimethylphenyl)sulfanyl-2H-triazole has a molecular weight of 205.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanyl-2H-triazole is sourced from PubChem (CID 155653462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).