(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone

C11H11BrClNOS — CID 80979556

IUPAC(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCSCC1
InChIInChI=1S/C11H11BrClNOS/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyWGDVJXGRIHRUBV-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.29
Rot. Bonds1

About (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone

(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 80979556) has the molecular formula C11H11BrClNOS and a molecular weight of 320.64 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID80979556
Molecular FormulaC11H11BrClNOS
Molecular Weight320.64 g/mol
Exact Mass318.94
IUPAC Name(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCSCC1
InChIInChI=1S/C11H11BrClNOS/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyWGDVJXGRIHRUBV-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone (CID 80979556) is (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccc(Br)c(Cl)c1)N1CCSCC1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is WGDVJXGRIHRUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNOS/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone?
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 320.64 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 80979556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).