(4-bromophenyl)-morpholin-4-ylmethanethione

C11H12BrNOS — CID 812266

IUPAC(4-bromophenyl)-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C11H12BrNOS/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyODPCYSHKSFQFRK-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.46
Rot. Bonds1

About (4-bromophenyl)-morpholin-4-ylmethanethione

(4-bromophenyl)-morpholin-4-ylmethanethione (PubChem CID 812266) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is (4-bromophenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(4-bromophenyl)-morpholin-4-ylmethanethione
PubChem CID812266
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name(4-bromophenyl)-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C11H12BrNOS/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKeyODPCYSHKSFQFRK-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (4-bromophenyl)-morpholin-4-ylmethanethione (CID 812266) is (4-bromophenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (4-bromophenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (4-bromophenyl)-morpholin-4-ylmethanethione is S=C(c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (4-bromophenyl)-morpholin-4-ylmethanethione?
The InChIKey is ODPCYSHKSFQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2.
What are the key properties of (4-bromophenyl)-morpholin-4-ylmethanethione?
(4-bromophenyl)-morpholin-4-ylmethanethione has a molecular weight of 286.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 812266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).