CID 175899509

C15H15BiCoNS2 — CID 175899509

IUPAC—
SMILESS=C(S)N(Cc1ccccc1)Cc1ccccc1.[Bi].[Co]
InChIInChI=1S/C15H15NS2.Bi.Co/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12H2,(H,17,18);;
InChIKeyJHVCUPUOYGWOOA-UHFFFAOYSA-N
MW541.34 g/mol
LogP3.52
Rot. Bonds4

About CID 175899509

CID 175899509 (PubChem CID 175899509) has the molecular formula C15H15BiCoNS2 and a molecular weight of 541.34 g/mol.

Molecular Properties

Compound NameCID 175899509
PubChem CID175899509
Molecular FormulaC15H15BiCoNS2
Molecular Weight541.34 g/mol
Exact Mass540.98
IUPAC Name—
SMILESS=C(S)N(Cc1ccccc1)Cc1ccccc1.[Bi].[Co]
InChIInChI=1S/C15H15NS2.Bi.Co/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12H2,(H,17,18);;
InChIKeyJHVCUPUOYGWOOA-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175899509?
The IUPAC name of CID 175899509 (CID 175899509) is not available.
What is the SMILES notation for CID 175899509?
The canonical SMILES for CID 175899509 is S=C(S)N(Cc1ccccc1)Cc1ccccc1.[Bi].[Co].
What is the InChIKey of CID 175899509?
The InChIKey is JHVCUPUOYGWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS2.Bi.Co/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12H2,(H,17,18);;.
What are the key properties of CID 175899509?
CID 175899509 has a molecular weight of 541.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175899509 is sourced from PubChem (CID 175899509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).