(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]

C14H18O2S2 — CID 88897498

IUPAC(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]
SMILESCOc1ccc2c(c1)C1(C[C@H](C)O2)SCCCS1
InChIInChI=1S/C14H18O2S2/c1-10-9-14(17-6-3-7-18-14)12-8-11(15-2)4-5-13(12)16-10/h4-5,8,10H,3,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyZOPBDAKWUBTPTN-JTQLQIEISA-N
MW282.43 g/mol
LogP3.89
Rot. Bonds1

About (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]

(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] (PubChem CID 88897498) has the molecular formula C14H18O2S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene].

Molecular Properties

Compound Name(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]
PubChem CID88897498
Molecular FormulaC14H18O2S2
Molecular Weight282.43 g/mol
Exact Mass282.07
IUPAC Name(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]
SMILESCOc1ccc2c(c1)C1(C[C@H](C)O2)SCCCS1
InChIInChI=1S/C14H18O2S2/c1-10-9-14(17-6-3-7-18-14)12-8-11(15-2)4-5-13(12)16-10/h4-5,8,10H,3,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyZOPBDAKWUBTPTN-JTQLQIEISA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]?
The IUPAC name of (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] (CID 88897498) is (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene].
What is the SMILES notation for (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]?
The canonical SMILES for (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] is COc1ccc2c(c1)C1(C[C@H](C)O2)SCCCS1.
What is the InChIKey of (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]?
The InChIKey is ZOPBDAKWUBTPTN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18O2S2/c1-10-9-14(17-6-3-7-18-14)12-8-11(15-2)4-5-13(12)16-10/h4-5,8,10H,3,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene]?
(2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] has a molecular weight of 282.43 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-6'-methoxy-2'-methylspiro[1,3-dithiane-2,4'-2,3-dihydrochromene] is sourced from PubChem (CID 88897498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).