5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole

C10H9Cl2N3OS — CID 7784934

IUPAC5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
SMILESClc1ccc(OCCSc2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3OS/c11-7-1-2-9(8(12)5-7)16-3-4-17-10-13-6-14-15-10/h1-2,5-6H,3-4H2,(H,13,14,15)
InChIKeyVMNIIJOIFPZWEE-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.28
Rot. Bonds5

About 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole

5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole (PubChem CID 7784934) has the molecular formula C10H9Cl2N3OS and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
PubChem CID7784934
Molecular FormulaC10H9Cl2N3OS
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
SMILESClc1ccc(OCCSc2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3OS/c11-7-1-2-9(8(12)5-7)16-3-4-17-10-13-6-14-15-10/h1-2,5-6H,3-4H2,(H,13,14,15)
InChIKeyVMNIIJOIFPZWEE-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43300675
4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-2-fluoroaniline
CID 79141281
2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoic acid
CID 43532405
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43250190
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazole
CID 16620142
1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
CID 78910752
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294256
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7273058
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 78759379

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole (CID 7784934) is 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole is Clc1ccc(OCCSc2ncn[nH]2)c(Cl)c1.
What is the InChIKey of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is VMNIIJOIFPZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3OS/c11-7-1-2-9(8(12)5-7)16-3-4-17-10-13-6-14-15-10/h1-2,5-6H,3-4H2,(H,13,14,15).
What are the key properties of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole?
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 290.18 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 7784934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).