(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol

C11H12Br2OS — CID 125426605

IUPAC(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol
SMILESC[C@H]1SCC[C@]1(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2OS/c1-7-11(14,2-3-15-7)8-4-9(12)6-10(13)5-8/h4-7,14H,2-3H2,1H3/t7-,11-/m1/s1
InChIKeyHYDWTGZUKWWISR-RDDDGLTNSA-N
MW352.09 g/mol
LogP3.92
Rot. Bonds1

About (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol

(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol (PubChem CID 125426605) has the molecular formula C11H12Br2OS and a molecular weight of 352.09 g/mol. Its IUPAC name is (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol
PubChem CID125426605
Molecular FormulaC11H12Br2OS
Molecular Weight352.09 g/mol
Exact Mass349.90
IUPAC Name(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol
SMILESC[C@H]1SCC[C@]1(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2OS/c1-7-11(14,2-3-15-7)8-4-9(12)6-10(13)5-8/h4-7,14H,2-3H2,1H3/t7-,11-/m1/s1
InChIKeyHYDWTGZUKWWISR-RDDDGLTNSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-pyridin-3-ylthiolan-3-ol
CID 112708905
(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
CID 124681288
3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
CID 130484192
3-(2-methoxyphenyl)-2-methylthiolan-3-ol
CID 83823248
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)thiolan-3-ol
CID 130834253
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
2-methyl-3-(4-propylphenyl)thian-3-ol
CID 79952547
3-(4-ethoxyphenyl)-2-methylthian-3-ol
CID 79951169
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
1-(3-bromo-5-chlorophenyl)-2-ethylcyclopropan-1-ol
CID 107957835
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 114080292
(4S)-6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 114080295

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol?
The IUPAC name of (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol (CID 125426605) is (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol.
What is the SMILES notation for (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol?
The canonical SMILES for (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol is C[C@H]1SCC[C@]1(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol?
The InChIKey is HYDWTGZUKWWISR-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H12Br2OS/c1-7-11(14,2-3-15-7)8-4-9(12)6-10(13)5-8/h4-7,14H,2-3H2,1H3/t7-,11-/m1/s1.
What are the key properties of (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol?
(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol has a molecular weight of 352.09 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol is sourced from PubChem (CID 125426605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).