(3,4-dichlorophenyl)-morpholin-4-ylmethanethione

C11H11Cl2NOS — CID 895402

IUPAC(3,4-dichlorophenyl)-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyUGCXYBULZQHULY-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.00
Rot. Bonds1

About (3,4-dichlorophenyl)-morpholin-4-ylmethanethione

(3,4-dichlorophenyl)-morpholin-4-ylmethanethione (PubChem CID 895402) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-morpholin-4-ylmethanethione
PubChem CID895402
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC Name(3,4-dichlorophenyl)-morpholin-4-ylmethanethione
SMILESS=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyUGCXYBULZQHULY-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.00
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 (3,4-dichlorophenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (3,4-dichlorophenyl)-morpholin-4-ylmethanethione (CID 895402) is (3,4-dichlorophenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (3,4-dichlorophenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (3,4-dichlorophenyl)-morpholin-4-ylmethanethione is S=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of (3,4-dichlorophenyl)-morpholin-4-ylmethanethione?
The InChIKey is UGCXYBULZQHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NOS/c12-9-2-1-8(7-10(9)13)11(16)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (3,4-dichlorophenyl)-morpholin-4-ylmethanethione?
(3,4-dichlorophenyl)-morpholin-4-ylmethanethione has a molecular weight of 276.19 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 895402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).