(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

C13H15BrO2S — CID 104949633

IUPAC(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCC1CC2(CS1)C[C@H](O)c1ccc(Br)cc1O2
InChIInChI=1S/C13H15BrO2S/c1-8-5-13(7-17-8)6-11(15)10-3-2-9(14)4-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1
InChIKeyRYOQYTGFFDLCFH-SAVVLTDYSA-N
MW315.23 g/mol
LogP3.53
Rot. Bonds

About (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (PubChem CID 104949633) has the molecular formula C13H15BrO2S and a molecular weight of 315.23 g/mol. Its IUPAC name is (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.

Molecular Properties

Compound Name(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
PubChem CID104949633
Molecular FormulaC13H15BrO2S
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCC1CC2(CS1)C[C@H](O)c1ccc(Br)cc1O2
InChIInChI=1S/C13H15BrO2S/c1-8-5-13(7-17-8)6-11(15)10-3-2-9(14)4-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1
InChIKeyRYOQYTGFFDLCFH-SAVVLTDYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol with MolForge

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Related Compounds

7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735
(4S)-7-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104949578
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714662
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 114080292
(4S)-7-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949647
(4S)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949601
(4R)-7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949332
(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The IUPAC name of (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (CID 104949633) is (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.
What is the SMILES notation for (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The canonical SMILES for (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is CC1CC2(CS1)C[C@H](O)c1ccc(Br)cc1O2.
What is the InChIKey of (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The InChIKey is RYOQYTGFFDLCFH-SAVVLTDYSA-N. The full InChI is InChI=1S/C13H15BrO2S/c1-8-5-13(7-17-8)6-11(15)10-3-2-9(14)4-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1.
What are the key properties of (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol has a molecular weight of 315.23 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is sourced from PubChem (CID 104949633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).