[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione

C18H16Cl3NO2S — CID 3909592

IUPAC[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
SMILESS=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H16Cl3NO2S/c19-14-4-2-1-3-12(14)11-24-17-15(20)9-13(10-16(17)21)18(25)22-5-7-23-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyOIJBSEFNNJXOBD-UHFFFAOYSA-N
MW416.76 g/mol
LogP5.23
Rot. Bonds4

About [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione

[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione (PubChem CID 3909592) has the molecular formula C18H16Cl3NO2S and a molecular weight of 416.76 g/mol. Its IUPAC name is [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
PubChem CID3909592
Molecular FormulaC18H16Cl3NO2S
Molecular Weight416.76 g/mol
Exact Mass415.00
IUPAC Name[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
SMILESS=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H16Cl3NO2S/c19-14-4-2-1-3-12(14)11-24-17-15(20)9-13(10-16(17)21)18(25)22-5-7-23-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyOIJBSEFNNJXOBD-UHFFFAOYSA-N
XLogP5.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.76
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 126378097
2-[[2,6-dichloro-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile
CID 3881798
[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 1261044
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-morpholin-4-ylmethanethione
CID 5216829
2-[[4-(4-benzylpiperazine-1-carbothioyl)-2,6-dichlorophenoxy]methyl]benzonitrile
CID 3496942
(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
CID 4650978
(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
CID 3601144
2-[2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 2211577
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
CID 91682734
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 26368175
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
(4-benzylpiperazin-1-yl)-(3,5-dichloro-4-ethoxyphenyl)methanethione
CID 4003675

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The IUPAC name of [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione (CID 3909592) is [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The canonical SMILES for [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione is S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
The InChIKey is OIJBSEFNNJXOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO2S/c19-14-4-2-1-3-12(14)11-24-17-15(20)9-13(10-16(17)21)18(25)22-5-7-23-8-6-22/h1-4,9-10H,5-8,11H2.
What are the key properties of [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione?
[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione has a molecular weight of 416.76 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 3909592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).