(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol

C14H18O2S — CID 104950482

IUPAC(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC1(CCSCC1)O2
InChIInChI=1S/C14H18O2S/c1-10-2-3-13-11(8-10)12(15)9-14(16-13)4-6-17-7-5-14/h2-3,8,12,15H,4-7,9H2,1H3/t12-/m0/s1
InChIKeyGGQQOYSMYJTCTR-LBPRGKRZSA-N
MW250.36 g/mol
LogP3.08
Rot. Bonds

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

(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol (PubChem CID 104950482) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol.

Molecular Properties

Compound Name(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
PubChem CID104950482
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC1(CCSCC1)O2
InChIInChI=1S/C14H18O2S/c1-10-2-3-13-11(8-10)12(15)9-14(16-13)4-6-17-7-5-14/h2-3,8,12,15H,4-7,9H2,1H3/t12-/m0/s1
InChIKeyGGQQOYSMYJTCTR-LBPRGKRZSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715070
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950467
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715200
(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104950590
(4S)-1'-[(2S)-2-hydroxy-2-phenylethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501934
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
(4S)-1'-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502094
1'-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16677569

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The IUPAC name of (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol (CID 104950482) is (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol.
What is the SMILES notation for (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The canonical SMILES for (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol is Cc1ccc2c(c1)[C@@H](O)CC1(CCSCC1)O2.
What is the InChIKey of (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The InChIKey is GGQQOYSMYJTCTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18O2S/c1-10-2-3-13-11(8-10)12(15)9-14(16-13)4-6-17-7-5-14/h2-3,8,12,15H,4-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol has a molecular weight of 250.36 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol is sourced from PubChem (CID 104950482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).