3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole

C9H5Cl2FN2OS2 — CID 11888074

IUPAC3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=[S@](Cc1c(F)cccc1Cl)c1nc(Cl)ns1
InChIInChI=1S/C9H5Cl2FN2OS2/c10-6-2-1-3-7(12)5(6)4-17(15)9-13-8(11)14-16-9/h1-3H,4H2/t17-/m1/s1
InChIKeyASYBDBPRDQMPCX-QGZVFWFLSA-N
MW311.19 g/mol
LogP3.29
Rot. Bonds3

About 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole

3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole (PubChem CID 11888074) has the molecular formula C9H5Cl2FN2OS2 and a molecular weight of 311.19 g/mol. Its IUPAC name is 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
PubChem CID11888074
Molecular FormulaC9H5Cl2FN2OS2
Molecular Weight311.19 g/mol
Exact Mass309.92
IUPAC Name3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=[S@](Cc1c(F)cccc1Cl)c1nc(Cl)ns1
InChIInChI=1S/C9H5Cl2FN2OS2/c10-6-2-1-3-7(12)5(6)4-17(15)9-13-8(11)14-16-9/h1-3H,4H2/t17-/m1/s1
InChIKeyASYBDBPRDQMPCX-QGZVFWFLSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole (CID 11888074) is 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole is O=[S@](Cc1c(F)cccc1Cl)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The InChIKey is ASYBDBPRDQMPCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C9H5Cl2FN2OS2/c10-6-2-1-3-7(12)5(6)4-17(15)9-13-8(11)14-16-9/h1-3H,4H2/t17-/m1/s1.
What are the key properties of 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole has a molecular weight of 311.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole is sourced from PubChem (CID 11888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).