CID 11372560

C12H12O4RuS2 — CID 11372560

IUPAC—
SMILESCOC(=O)/C([S-])=C(/[S-])C(=O)OC.[CH]1[CH][CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C6H8O4S2.C6H6.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H;/q;;+2/p-2/b4-3-;;
InChIKeyHCRUDPXPHKQODO-GSBNXNDCSA-L
MW385.43 g/mol
LogP0.86
Rot. Bonds2

About CID 11372560

CID 11372560 (PubChem CID 11372560) has the molecular formula C12H12O4RuS2 and a molecular weight of 385.43 g/mol.

Molecular Properties

Compound NameCID 11372560
PubChem CID11372560
Molecular FormulaC12H12O4RuS2
Molecular Weight385.43 g/mol
Exact Mass385.92
IUPAC Name—
SMILESCOC(=O)/C([S-])=C(/[S-])C(=O)OC.[CH]1[CH][CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C6H8O4S2.C6H6.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H;/q;;+2/p-2/b4-3-;;
InChIKeyHCRUDPXPHKQODO-GSBNXNDCSA-L
XLogP0.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11372560?
The IUPAC name of CID 11372560 (CID 11372560) is not available.
What is the SMILES notation for CID 11372560?
The canonical SMILES for CID 11372560 is COC(=O)/C([S-])=C(/[S-])C(=O)OC.[CH]1[CH][CH][CH][CH][CH]1.[Ru+2].
What is the InChIKey of CID 11372560?
The InChIKey is HCRUDPXPHKQODO-GSBNXNDCSA-L. The full InChI is InChI=1S/C6H8O4S2.C6H6.Ru/c1-9-5(7)3(11)4(12)6(8)10-2;1-2-4-6-5-3-1;/h11-12H,1-2H3;1-6H;/q;;+2/p-2/b4-3-;;.
What are the key properties of CID 11372560?
CID 11372560 has a molecular weight of 385.43 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11372560 is sourced from PubChem (CID 11372560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).