CID 153370355

C28H15O7PbS4 — CID 153370355

IUPAC—
SMILESO=C(Oc1ccc2c(c1)Oc1cc(OC(=O)SSc3ccccc3)ccc1C21OC(=O)c2ccccc21)SS[Pb]
InChIInChI=1S/C28H16O7S4.Pb/c29-25-19-8-4-5-9-20(19)28(35-25)21-12-10-16(32-26(30)37-36)14-23(21)34-24-15-17(11-13-22(24)28)33-27(31)39-38-18-6-2-1-3-7-18;/h1-15,36H;/q;+1/p-1
InChIKeyFHSOLRJIOLBHHO-UHFFFAOYSA-M
MW798.89 g/mol
LogP8.16
Rot. Bonds5

About CID 153370355

CID 153370355 (PubChem CID 153370355) has the molecular formula C28H15O7PbS4 and a molecular weight of 798.89 g/mol.

Molecular Properties

Compound NameCID 153370355
PubChem CID153370355
Molecular FormulaC28H15O7PbS4
Molecular Weight798.89 g/mol
Exact Mass798.95
IUPAC Name—
SMILESO=C(Oc1ccc2c(c1)Oc1cc(OC(=O)SSc3ccccc3)ccc1C21OC(=O)c2ccccc21)SS[Pb]
InChIInChI=1S/C28H16O7S4.Pb/c29-25-19-8-4-5-9-20(19)28(35-25)21-12-10-16(32-26(30)37-36)14-23(21)34-24-15-17(11-13-22(24)28)33-27(31)39-38-18-6-2-1-3-7-18;/h1-15,36H;/q;+1/p-1
InChIKeyFHSOLRJIOLBHHO-UHFFFAOYSA-M
XLogP8.16
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.89
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

O-[3-oxo-6'-(phenyldisulfanyl)carbothioyloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl] (phenyldisulfanyl)methanethioate
CID 153370359
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)formate
CID 157215631
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;pyrrole-2,5-dione
CID 67127068
(3-oxo-6'-pentoxycarbonyloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) pentyl carbonate
CID 171749794
O-(6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)methanethioate
CID 153370334
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenylsulfanylurea
CID 87830871
O-(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)methanethioate
CID 161321595
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
[6'-(2,3-dihydroxypropoxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
CID 101336735

Frequently Asked Questions

What is the IUPAC name of CID 153370355?
The IUPAC name of CID 153370355 (CID 153370355) is not available.
What is the SMILES notation for CID 153370355?
The canonical SMILES for CID 153370355 is O=C(Oc1ccc2c(c1)Oc1cc(OC(=O)SSc3ccccc3)ccc1C21OC(=O)c2ccccc21)SS[Pb].
What is the InChIKey of CID 153370355?
The InChIKey is FHSOLRJIOLBHHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H16O7S4.Pb/c29-25-19-8-4-5-9-20(19)28(35-25)21-12-10-16(32-26(30)37-36)14-23(21)34-24-15-17(11-13-22(24)28)33-27(31)39-38-18-6-2-1-3-7-18;/h1-15,36H;/q;+1/p-1.
What are the key properties of CID 153370355?
CID 153370355 has a molecular weight of 798.89 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153370355 is sourced from PubChem (CID 153370355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).