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

C10H8ClNO2S3 — CID 2468160

IUPAC4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C10H8ClNO2S3/c1-15-10-12-9(8(11)16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeySLPOBVMPRDDOJA-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.35
Rot. Bonds3

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

4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole (PubChem CID 2468160) has the molecular formula C10H8ClNO2S3 and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole
PubChem CID2468160
Molecular FormulaC10H8ClNO2S3
Molecular Weight305.83 g/mol
Exact Mass304.94
IUPAC Name4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole
SMILESCSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C10H8ClNO2S3/c1-15-10-12-9(8(11)16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeySLPOBVMPRDDOJA-UHFFFAOYSA-N
XLogP3.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole (CID 2468160) is 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole is CSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.
What is the InChIKey of 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole?
The InChIKey is SLPOBVMPRDDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S3/c1-15-10-12-9(8(11)16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole?
4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole has a molecular weight of 305.83 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-chloro-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 2468160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).