(2-hydroxyphenyl)-morpholin-4-ylmethanethione

C11H13NO2S — CID 16245

IUPAC(2-hydroxyphenyl)-morpholin-4-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-10-4-2-1-3-9(10)11(15)12-5-7-14-8-6-12/h1-4,13H,5-8H2
InChIKeyPNUFSDJAVWXYTK-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.40
Rot. Bonds1

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

(2-hydroxyphenyl)-morpholin-4-ylmethanethione (PubChem CID 16245) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (2-hydroxyphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(2-hydroxyphenyl)-morpholin-4-ylmethanethione
PubChem CID16245
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(2-hydroxyphenyl)-morpholin-4-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-10-4-2-1-3-9(10)11(15)12-5-7-14-8-6-12/h1-4,13H,5-8H2
InChIKeyPNUFSDJAVWXYTK-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione
CID 551134
2-(4-Morpholinylmethyl)phenol
CID 225458
(2-Hydroxy-phenyl)-[4-(2-hydroxy-thiobenzoyl)-piperazin-1-yl]-methanethione
CID 586440
Piperidine, 1-[(4-hydroxyphenyl)thioxomethyl]-
CID 613467
(3-Hydroxy-phenyl)-piperidin-1-yl-methanethione
CID 799882
(2-Hydroxyphenyl)-1-piperidinylmethanethione
CID 16246
Pyrocatechol, 3-(morpholinomethyl)-
CID 96673
4-(4-Hydroxythiobenzoyl)morpholine
CID 289457
Morpholine, 4-(o-ethoxythiobenzoyl)-
CID 970600
(1,1'-Biphenyl)-4-ol, 3-(4-morpholinylmethyl)-
CID 22957
2-(2-Hydroxyphenyl)-1-morpholin-4-ylethanethione
CID 347128
2-[(4-Methyl-1-piperidinyl)carbonothioyl]phenol
CID 969855

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (2-hydroxyphenyl)-morpholin-4-ylmethanethione (CID 16245) is (2-hydroxyphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (2-hydroxyphenyl)-morpholin-4-ylmethanethione is Oc1ccccc1C(=S)N1CCOCC1.
What is the InChIKey of (2-hydroxyphenyl)-morpholin-4-ylmethanethione?
The InChIKey is PNUFSDJAVWXYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-10-4-2-1-3-9(10)11(15)12-5-7-14-8-6-12/h1-4,13H,5-8H2.
What are the key properties of (2-hydroxyphenyl)-morpholin-4-ylmethanethione?
(2-hydroxyphenyl)-morpholin-4-ylmethanethione has a molecular weight of 223.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 16245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).