(2R,3R)-2,3-bis(4-chlorophenyl)thiirane

C14H10Cl2S — CID 11312048

IUPAC(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
SMILESClc1ccc([C@H]2S[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10Cl2S/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14-/m1/s1
InChIKeyZZVBOLXEUMLHGG-ZIAGYGMSSA-N
MW281.21 g/mol
LogP5.52
Rot. Bonds2

About (2R,3R)-2,3-bis(4-chlorophenyl)thiirane

(2R,3R)-2,3-bis(4-chlorophenyl)thiirane (PubChem CID 11312048) has the molecular formula C14H10Cl2S and a molecular weight of 281.21 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(4-chlorophenyl)thiirane.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
PubChem CID11312048
Molecular FormulaC14H10Cl2S
Molecular Weight281.21 g/mol
Exact Mass279.99
IUPAC Name(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
SMILESClc1ccc([C@H]2S[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10Cl2S/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14-/m1/s1
InChIKeyZZVBOLXEUMLHGG-ZIAGYGMSSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.21
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-thiabicyclo[2.2.2]oct-5-ene
CID 134924818
(1R,3S,4S)-3-(4-chlorophenyl)-2-thiabicyclo[2.2.2]oct-5-ene
CID 14900854
2,6-bis(4-chlorophenyl)-1,4-dithiane
CID 11210011
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-thiochromene
CID 54133109
(4S,5R)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
CID 35028548
(4S,5S)-4-(4-chlorophenyl)-1,3,2-oxathiazolidin-5-ol
CID 35028553
azane;1,4-dichlorobenzene
CID 69330361
4,5,9,10-tetrakis(4-chlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374957
(2S,3R,5R,6R)-2,6-bis(4-chlorophenyl)-1,4-oxathiane-3,5-dicarbonitrile
CID 92529222
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
3-(4-chlorophenyl)oxetane
CID 130113875

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(4-chlorophenyl)thiirane?
The IUPAC name of (2R,3R)-2,3-bis(4-chlorophenyl)thiirane (CID 11312048) is (2R,3R)-2,3-bis(4-chlorophenyl)thiirane.
What is the SMILES notation for (2R,3R)-2,3-bis(4-chlorophenyl)thiirane?
The canonical SMILES for (2R,3R)-2,3-bis(4-chlorophenyl)thiirane is Clc1ccc([C@H]2S[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(4-chlorophenyl)thiirane?
The InChIKey is ZZVBOLXEUMLHGG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H10Cl2S/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(4-chlorophenyl)thiirane?
(2R,3R)-2,3-bis(4-chlorophenyl)thiirane has a molecular weight of 281.21 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(4-chlorophenyl)thiirane is sourced from PubChem (CID 11312048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).