(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol

C8H8ClNO2S — CID 35028553

IUPAC(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
SMILESO[C@H]1ONS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2S/c9-6-3-1-5(2-4-6)7-8(11)12-10-13-7/h1-4,7-8,10-11H/t7-,8-/m0/s1
InChIKeyAZMBQDYUHOWEMO-YUMQZZPRSA-N
MW217.68 g/mol
LogP1.88
Rot. Bonds1

About (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol

(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol (PubChem CID 35028553) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol.

Molecular Properties

Compound Name(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
PubChem CID35028553
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
SMILESO[C@H]1ONS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2S/c9-6-3-1-5(2-4-6)7-8(11)12-10-13-7/h1-4,7-8,10-11H/t7-,8-/m0/s1
InChIKeyAZMBQDYUHOWEMO-YUMQZZPRSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
CID 35028548
(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
CID 11312048
(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
CID 125117368
4-(4-chlorophenyl)-1,4-dihydropyridine
CID 141260635
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
2,6-bis(4-chlorophenyl)-1,4-dithiane
CID 11210011
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
(5S)-5-(4-chlorophenyl)-3-hydroxyoxolane-2,4-dione
CID 54369894
3-(4-chlorophenyl)oxetane
CID 130113875
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
azane;1,4-dichlorobenzene
CID 69330361
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol?
The IUPAC name of (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol (CID 35028553) is (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol.
What is the SMILES notation for (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol?
The canonical SMILES for (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol is O[C@H]1ONS[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol?
The InChIKey is AZMBQDYUHOWEMO-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-6-3-1-5(2-4-6)7-8(11)12-10-13-7/h1-4,7-8,10-11H/t7-,8-/m0/s1.
What are the key properties of (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol?
(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol has a molecular weight of 217.68 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol is sourced from PubChem (CID 35028553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).