2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C9H4ClF3N2S2 — CID 154139292

IUPAC2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Sc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H4ClF3N2S2/c10-5-1-3-6(4-2-5)16-8-15-14-7(17-8)9(11,12)13/h1-4H
InChIKeyLVSYLEBEKYQPIB-UHFFFAOYSA-N
MW296.73 g/mol
LogP4.36
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 154139292) has the molecular formula C9H4ClF3N2S2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID154139292
Molecular FormulaC9H4ClF3N2S2
Molecular Weight296.73 g/mol
Exact Mass295.95
IUPAC Name2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Sc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H4ClF3N2S2/c10-5-1-3-6(4-2-5)16-8-15-14-7(17-8)9(11,12)13/h1-4H
InChIKeyLVSYLEBEKYQPIB-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Chlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322873
2-(4-Chlorophenyl)sulfanyl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 23035398
2-[(3,4-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 54353624
2-(4-Chlorophenyl)sulfanyl-5-(trichloromethyl)-1,3,4-thiadiazole
CID 12639709
2-(2,4-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384566
2-(3,4-Dichlorobenzene-1-sulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384568
2-(2,4-Dichlorobenzene-1-sulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384569
2-[(2,4-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384578
2-[(4-Chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 141477366
2-[(4-Chlorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 141477368
2-[3-(2-Chlorophenyl)sulfanylpropylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 56456821
2-Bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole
CID 64622250

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 154139292) is 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(Sc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is LVSYLEBEKYQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2S2/c10-5-1-3-6(4-2-5)16-8-15-14-7(17-8)9(11,12)13/h1-4H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 296.73 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 154139292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).