3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole

C14H8Cl2N2S — CID 10709840

IUPAC3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyOOILCJFCQKOSOJ-UHFFFAOYSA-N
MW307.21 g/mol
LogP5.18
Rot. Bonds2

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

3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole (PubChem CID 10709840) has the molecular formula C14H8Cl2N2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole
PubChem CID10709840
Molecular FormulaC14H8Cl2N2S
Molecular Weight307.21 g/mol
Exact Mass305.98
IUPAC Name3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyOOILCJFCQKOSOJ-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.21
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-(2-fluoroethyl)triazole
CID 76315382
3,4-DI-(2-Chlorophenyl)furoxan
CID 479761
1,2,5-Oxadiazole, 3,4-bis(4-chlorophenyl)-, 2-oxide
CID 479762
3-Chloro-4-phenyl-1,2,5-thiadiazole
CID 2764044
3-(4-Chlorophenyl)-4-phenyl-1,2,5-thiadiazole
CID 11086920
3-Bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole
CID 15252597
4-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole
CID 99803496
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-(Chloromethyl)-4-phenyl-1,2,5-thiadiazole
CID 10632283
3-Chloro-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
CID 10264857
4,5-Bis(4-chlorophenyl)thiadiazole
CID 12335210

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole?
The IUPAC name of 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole (CID 10709840) is 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole?
The canonical SMILES for 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole is Clc1ccc(-c2nsnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole?
The InChIKey is OOILCJFCQKOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole?
3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole has a molecular weight of 307.21 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-chlorophenyl)-1,2,5-thiadiazole is sourced from PubChem (CID 10709840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).