(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide

C10H10Br2O2S — CID 7452579

IUPAC(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](Br)[C@@](Br)(c2ccccc2)C1
InChIInChI=1S/C10H10Br2O2S/c11-9-6-15(13,14)7-10(9,12)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10-/m0/s1
InChIKeyDFPRPSAKDXJTRA-UWVGGRQHSA-N
MW354.06 g/mol
LogP2.47
Rot. Bonds1

About (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide

(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide (PubChem CID 7452579) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide
PubChem CID7452579
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](Br)[C@@](Br)(c2ccccc2)C1
InChIInChI=1S/C10H10Br2O2S/c11-9-6-15(13,14)7-10(9,12)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10-/m0/s1
InChIKeyDFPRPSAKDXJTRA-UWVGGRQHSA-N
XLogP2.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-1,5-diphenyl-6,7-dioxa-3λ6-thiabicyclo[3.2.2]nonane 3,3-dioxide
CID 10616425
(1S,7R)-1-phenyl-4-oxa-9λ6-thiatricyclo[5.3.0.03,5]decane 9,9-dioxide
CID 90482706
(1S,3S,5R,7R)-1-phenyl-4-oxa-9λ6-thiatricyclo[5.3.0.03,5]decane 9,9-dioxide
CID 95565052
[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
CID 100969762
(1R,8R,9S,13S)-1,8-diphenyl-14-oxa-11λ6-thiatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene 11,11-dioxide
CID 98554881
2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
CID 25014281
4-bromo-4-phenylcyclohexan-1-amine
CID 178078365
2-[[(3aR,5S,6S,7aS)-6-chloro-2,2-dioxo-7a-phenyl-3,3a,4,5,6,7-hexahydro-1H-2-benzothiophen-5-yl]oxy]propan-2-ol
CID 95565048
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
3-methylthiolane 1,1-dioxide;toluene
CID 70637540
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
1-phenylcyclopropane-1-carbaldehyde
CID 11008055

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide (CID 7452579) is (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide is O=S1(=O)C[C@H](Br)[C@@](Br)(c2ccccc2)C1.
What is the InChIKey of (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide?
The InChIKey is DFPRPSAKDXJTRA-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c11-9-6-15(13,14)7-10(9,12)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide?
(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide has a molecular weight of 354.06 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide is sourced from PubChem (CID 7452579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).