(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol

C12H13ClO2S — CID 104949137

IUPAC(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
SMILESO[C@@H]1CC2(CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClO2S/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10,14H,3-4,6-7H2/t10-,12?/m1/s1
InChIKeyGYTDLIRNESILSN-RWANSRKNSA-N
MW256.75 g/mol
LogP3.03
Rot. Bonds

About (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol

(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol (PubChem CID 104949137) has the molecular formula C12H13ClO2S and a molecular weight of 256.75 g/mol. Its IUPAC name is (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol.

Molecular Properties

Compound Name(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
PubChem CID104949137
Molecular FormulaC12H13ClO2S
Molecular Weight256.75 g/mol
Exact Mass256.03
IUPAC Name(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
SMILESO[C@@H]1CC2(CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClO2S/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10,14H,3-4,6-7H2/t10-,12?/m1/s1
InChIKeyGYTDLIRNESILSN-RWANSRKNSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol?
The IUPAC name of (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol (CID 104949137) is (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol.
What is the SMILES notation for (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol?
The canonical SMILES for (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol is O[C@@H]1CC2(CCSC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol?
The InChIKey is GYTDLIRNESILSN-RWANSRKNSA-N. The full InChI is InChI=1S/C12H13ClO2S/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10,14H,3-4,6-7H2/t10-,12?/m1/s1.
What are the key properties of (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol?
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol has a molecular weight of 256.75 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol is sourced from PubChem (CID 104949137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).