(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione

C11H11I2NO2S — CID 137172624

IUPAC(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione
SMILESOc1c(I)cc(C(=S)N2CCOCC2)cc1I
InChIInChI=1S/C11H11I2NO2S/c12-8-5-7(6-9(13)10(8)15)11(17)14-1-3-16-4-2-14/h5-6,15H,1-4H2
InChIKeyFRMHXNSZPOXYOI-UHFFFAOYSA-N
MW475.09 g/mol
LogP2.61
Rot. Bonds1

About (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione

(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione (PubChem CID 137172624) has the molecular formula C11H11I2NO2S and a molecular weight of 475.09 g/mol. Its IUPAC name is (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione
PubChem CID137172624
Molecular FormulaC11H11I2NO2S
Molecular Weight475.09 g/mol
Exact Mass474.86
IUPAC Name(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione
SMILESOc1c(I)cc(C(=S)N2CCOCC2)cc1I
InChIInChI=1S/C11H11I2NO2S/c12-8-5-7(6-9(13)10(8)15)11(17)14-1-3-16-4-2-14/h5-6,15H,1-4H2
InChIKeyFRMHXNSZPOXYOI-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dihydroxy-5-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3054041
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-ethoxy-4-hydroxy-5-iodophenyl)methanethione
CID 137129262
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
CID 975910
morpholin-4-yl-(5,6,7-trimethoxynaphthalen-2-yl)methanethione
CID 110182583
morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione
CID 798135
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
3-iodo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17194981
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018
ethane;1-morpholin-4-ylethanethione
CID 142226083
morpholin-4-yl-(3-nitrophenyl)methanethione
CID 619828
[2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate
CID 3114064

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione (CID 137172624) is (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione is Oc1c(I)cc(C(=S)N2CCOCC2)cc1I.
What is the InChIKey of (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione?
The InChIKey is FRMHXNSZPOXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I2NO2S/c12-8-5-7(6-9(13)10(8)15)11(17)14-1-3-16-4-2-14/h5-6,15H,1-4H2.
What are the key properties of (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione?
(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione has a molecular weight of 475.09 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 137172624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).