2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol

C20H24O2S2 — CID 22892735

IUPAC2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=C(C)SC(C)=C3)C2O)C=C(C)S1
InChIInChI=1S/C20H24O2S2/c1-11-5-15(6-12(2)23-11)9-17-19(21)18(20(17)22)10-16-7-13(3)24-14(4)8-16/h5-10,17-22H,1-4H3
InChIKeyMUZNIQBMDQLTRE-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.92
Rot. Bonds2

About 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol

2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol (PubChem CID 22892735) has the molecular formula C20H24O2S2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol
PubChem CID22892735
Molecular FormulaC20H24O2S2
Molecular Weight360.54 g/mol
Exact Mass360.12
IUPAC Name2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=C(C)SC(C)=C3)C2O)C=C(C)S1
InChIInChI=1S/C20H24O2S2/c1-11-5-15(6-12(2)23-11)9-17-19(21)18(20(17)22)10-16-7-13(3)24-14(4)8-16/h5-10,17-22H,1-4H3
InChIKeyMUZNIQBMDQLTRE-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol?
The IUPAC name of 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol (CID 22892735) is 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol is CC1=CC(=CC2C(O)C(C=C3C=C(C)SC(C)=C3)C2O)C=C(C)S1.
What is the InChIKey of 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol?
The InChIKey is MUZNIQBMDQLTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2S2/c1-11-5-15(6-12(2)23-11)9-17-19(21)18(20(17)22)10-16-7-13(3)24-14(4)8-16/h5-10,17-22H,1-4H3.
What are the key properties of 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol?
2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol has a molecular weight of 360.54 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2,6-dimethylthiopyran-4-ylidene)methyl]cyclobutane-1,3-diol is sourced from PubChem (CID 22892735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).