5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole

C10H7Cl2NO2S3 — CID 35399957

IUPAC5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1
InChIInChI=1S/C10H7Cl2NO2S3/c1-16-10-13-9(8(12)17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,1H3
InChIKeyXSHXAXFMMQZLNH-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.00
Rot. Bonds3

About 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole

5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole (PubChem CID 35399957) has the molecular formula C10H7Cl2NO2S3 and a molecular weight of 340.28 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole
PubChem CID35399957
Molecular FormulaC10H7Cl2NO2S3
Molecular Weight340.28 g/mol
Exact Mass338.90
IUPAC Name5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1
InChIInChI=1S/C10H7Cl2NO2S3/c1-16-10-13-9(8(12)17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,1H3
InChIKeyXSHXAXFMMQZLNH-UHFFFAOYSA-N
XLogP4.00
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole (CID 35399957) is 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole is CSc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole?
The InChIKey is XSHXAXFMMQZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S3/c1-16-10-13-9(8(12)17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,1H3.
What are the key properties of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole?
5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole has a molecular weight of 340.28 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 35399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).