(3R)-3-(4-bromophenyl)thiolan-3-ol

C10H11BrOS — CID 125041399

IUPAC(3R)-3-(4-bromophenyl)thiolan-3-ol
SMILESO[C@@]1(c2ccc(Br)cc2)CCSC1
InChIInChI=1S/C10H11BrOS/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,12H,5-7H2/t10-/m0/s1
InChIKeyVHKVHLMMWFQYKU-JTQLQIEISA-N
MW259.17 g/mol
LogP2.77
Rot. Bonds1

About (3R)-3-(4-bromophenyl)thiolan-3-ol

(3R)-3-(4-bromophenyl)thiolan-3-ol (PubChem CID 125041399) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)thiolan-3-ol.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)thiolan-3-ol
PubChem CID125041399
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name(3R)-3-(4-bromophenyl)thiolan-3-ol
SMILESO[C@@]1(c2ccc(Br)cc2)CCSC1
InChIInChI=1S/C10H11BrOS/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,12H,5-7H2/t10-/m0/s1
InChIKeyVHKVHLMMWFQYKU-JTQLQIEISA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)thiolan-3-ol?
The IUPAC name of (3R)-3-(4-bromophenyl)thiolan-3-ol (CID 125041399) is (3R)-3-(4-bromophenyl)thiolan-3-ol.
What is the SMILES notation for (3R)-3-(4-bromophenyl)thiolan-3-ol?
The canonical SMILES for (3R)-3-(4-bromophenyl)thiolan-3-ol is O[C@@]1(c2ccc(Br)cc2)CCSC1.
What is the InChIKey of (3R)-3-(4-bromophenyl)thiolan-3-ol?
The InChIKey is VHKVHLMMWFQYKU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrOS/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,12H,5-7H2/t10-/m0/s1.
What are the key properties of (3R)-3-(4-bromophenyl)thiolan-3-ol?
(3R)-3-(4-bromophenyl)thiolan-3-ol has a molecular weight of 259.17 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)thiolan-3-ol is sourced from PubChem (CID 125041399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).