CID 122214960

C25H24O5S2 — CID 122214960

IUPAC—
SMILESO=C1C2(CCC13Cc1cc4c(cc1C3)CS(=O)OC4)Cc1cc3c(cc1C2)CS(=O)OC3
InChIInChI=1S/C25H24O5S2/c26-23-24(7-15-3-19-11-29-31(27)13-21(19)5-17(15)9-24)1-2-25(23)8-16-4-20-12-30-32(28)14-22(20)6-18(16)10-25/h3-6H,1-2,7-14H2
InChIKeyOVHNCKQCWBDDGK-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.31
Rot. Bonds

About CID 122214960

CID 122214960 (PubChem CID 122214960) has the molecular formula C25H24O5S2 and a molecular weight of 468.60 g/mol.

Molecular Properties

Compound NameCID 122214960
PubChem CID122214960
Molecular FormulaC25H24O5S2
Molecular Weight468.60 g/mol
Exact Mass468.11
IUPAC Name—
SMILESO=C1C2(CCC13Cc1cc4c(cc1C3)CS(=O)OC4)Cc1cc3c(cc1C2)CS(=O)OC3
InChIInChI=1S/C25H24O5S2/c26-23-24(7-15-3-19-11-29-31(27)13-21(19)5-17(15)9-24)1-2-25(23)8-16-4-20-12-30-32(28)14-22(20)6-18(16)10-25/h3-6H,1-2,7-14H2
InChIKeyOVHNCKQCWBDDGK-UHFFFAOYSA-N
XLogP3.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 122214960?
The IUPAC name of CID 122214960 (CID 122214960) is not available.
What is the SMILES notation for CID 122214960?
The canonical SMILES for CID 122214960 is O=C1C2(CCC13Cc1cc4c(cc1C3)CS(=O)OC4)Cc1cc3c(cc1C2)CS(=O)OC3.
What is the InChIKey of CID 122214960?
The InChIKey is OVHNCKQCWBDDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5S2/c26-23-24(7-15-3-19-11-29-31(27)13-21(19)5-17(15)9-24)1-2-25(23)8-16-4-20-12-30-32(28)14-22(20)6-18(16)10-25/h3-6H,1-2,7-14H2.
What are the key properties of CID 122214960?
CID 122214960 has a molecular weight of 468.60 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122214960 is sourced from PubChem (CID 122214960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).