2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione

C12H14BrNO2S — CID 102364471

IUPAC2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
SMILESOC(C(=S)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4,11,15H,5-8H2
InChIKeyDXKGOUKTXPGPKF-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.14
Rot. Bonds2

About 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione

2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione (PubChem CID 102364471) has the molecular formula C12H14BrNO2S and a molecular weight of 316.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
PubChem CID102364471
Molecular FormulaC12H14BrNO2S
Molecular Weight316.22 g/mol
Exact Mass314.99
IUPAC Name2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
SMILESOC(C(=S)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4,11,15H,5-8H2
InChIKeyDXKGOUKTXPGPKF-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.14
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

(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone
CID 125484130
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione
CID 151644036
2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone
CID 140783533
1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
CID 91515805
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 95631856
N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
CID 92858364

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione (CID 102364471) is 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione is OC(C(=S)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione?
The InChIKey is DXKGOUKTXPGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2S/c13-10-3-1-9(2-4-10)11(15)12(17)14-5-7-16-8-6-14/h1-4,11,15H,5-8H2.
What are the key properties of 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione?
2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione has a molecular weight of 316.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione is sourced from PubChem (CID 102364471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).