(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol

C15H19ClO2S — CID 104948901

IUPAC(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
SMILESCC1(C)CSCC2(C[C@H](O)c3cc(Cl)ccc3O2)C1
InChIInChI=1S/C15H19ClO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m0/s1
InChIKeyLLVLVUNRKQKURS-SFVWDYPZSA-N
MW298.83 g/mol
LogP4.06
Rot. Bonds

About (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol

(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol (PubChem CID 104948901) has the molecular formula C15H19ClO2S and a molecular weight of 298.83 g/mol. Its IUPAC name is (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
PubChem CID104948901
Molecular FormulaC15H19ClO2S
Molecular Weight298.83 g/mol
Exact Mass298.08
IUPAC Name(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
SMILESCC1(C)CSCC2(C[C@H](O)c3cc(Cl)ccc3O2)C1
InChIInChI=1S/C15H19ClO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m0/s1
InChIKeyLLVLVUNRKQKURS-SFVWDYPZSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol with MolForge

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Related Compounds

(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
(4S)-7-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104949578
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911
(4'R)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104949139
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825045
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The IUPAC name of (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol (CID 104948901) is (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol.
What is the SMILES notation for (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The canonical SMILES for (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol is CC1(C)CSCC2(C[C@H](O)c3cc(Cl)ccc3O2)C1.
What is the InChIKey of (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The InChIKey is LLVLVUNRKQKURS-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H19ClO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
(4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol has a molecular weight of 298.83 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol is sourced from PubChem (CID 104948901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).