(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione

C11H12ClNO2S — CID 135635018

IUPAC(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
SMILESOc1ccc(Cl)cc1C(=S)N1CCOCC1
InChIInChI=1S/C11H12ClNO2S/c12-8-1-2-10(14)9(7-8)11(16)13-3-5-15-6-4-13/h1-2,7,14H,3-6H2
InChIKeyLSADWYUTDIGACO-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.05
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione

(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione (PubChem CID 135635018) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
PubChem CID135635018
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
SMILESOc1ccc(Cl)cc1C(=S)N1CCOCC1
InChIInChI=1S/C11H12ClNO2S/c12-8-1-2-10(14)9(7-8)11(16)13-3-5-15-6-4-13/h1-2,7,14H,3-6H2
InChIKeyLSADWYUTDIGACO-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-chloro-2-hydroxyphenyl)-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

[4-chloro-2-(morpholine-4-carbothioyl)phenyl] 2,5-dichlorobenzoate
CID 1329344
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
CID 786411
5-chloro-2-hydroxy-N-(morpholin-4-ylmethyl)benzamide
CID 86181913
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
5-chloro-2-morpholin-4-ylbenzenecarbothioamide
CID 62492802
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
4-chloro-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929750
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61430706
[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 4291255

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione (CID 135635018) is (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione is Oc1ccc(Cl)cc1C(=S)N1CCOCC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The InChIKey is LSADWYUTDIGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c12-8-1-2-10(14)9(7-8)11(16)13-3-5-15-6-4-13/h1-2,7,14H,3-6H2.
What are the key properties of (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione?
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione has a molecular weight of 257.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 135635018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).