2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

C10H8Cl2N2S2 — CID 878834

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S2/c1-6-13-14-10(16-6)15-5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3
InChIKeyFALHJVAUSVMJHG-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.45
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 878834) has the molecular formula C10H8Cl2N2S2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID878834
Molecular FormulaC10H8Cl2N2S2
Molecular Weight291.23 g/mol
Exact Mass289.95
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S2/c1-6-13-14-10(16-6)15-5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3
InChIKeyFALHJVAUSVMJHG-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CID 878834) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(SCc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is FALHJVAUSVMJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S2/c1-6-13-14-10(16-6)15-5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 291.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 878834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).