4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione

C11H10ClNO2S — CID 2732496

IUPAC4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione
SMILESCc1ccc(Cl)cc1N1C(=O)CSCC1=O
InChIInChI=1S/C11H10ClNO2S/c1-7-2-3-8(12)4-9(7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyBBVHCYUUEICFNO-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.25
Rot. Bonds1

About 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione

4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione (PubChem CID 2732496) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione
PubChem CID2732496
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione
SMILESCc1ccc(Cl)cc1N1C(=O)CSCC1=O
InChIInChI=1S/C11H10ClNO2S/c1-7-2-3-8(12)4-9(7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyBBVHCYUUEICFNO-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione (CID 2732496) is 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione is Cc1ccc(Cl)cc1N1C(=O)CSCC1=O.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione?
The InChIKey is BBVHCYUUEICFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-7-2-3-8(12)4-9(7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione?
4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione has a molecular weight of 255.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 2732496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).