CID 175310936

MoO4PS3-5 — CID 175310936

IUPAC—
SMILES[Mo].[O-]P([O-])(=S)[S-].[O-]S[O-]
InChIInChI=1S/Mo.H3O2PS2.H2O2S/c;1-3(2,4)5;1-3-2/h;(H3,1,2,4,5);1-2H/p-5
InChIKeySQXYTRAGUHFQDT-UHFFFAOYSA-I
MW287.11 g/mol
LogP-1.54
Rot. Bonds

About CID 175310936

CID 175310936 (PubChem CID 175310936) has the molecular formula MoO4PS3-5 and a molecular weight of 287.11 g/mol.

Molecular Properties

Compound NameCID 175310936
PubChem CID175310936
Molecular FormulaMoO4PS3-5
Molecular Weight287.11 g/mol
Exact Mass288.78
IUPAC Name—
SMILES[Mo].[O-]P([O-])(=S)[S-].[O-]S[O-]
InChIInChI=1S/Mo.H3O2PS2.H2O2S/c;1-3(2,4)5;1-3-2/h;(H3,1,2,4,5);1-2H/p-5
InChIKeySQXYTRAGUHFQDT-UHFFFAOYSA-I
XLogP-1.54
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175310936?
The IUPAC name of CID 175310936 (CID 175310936) is not available.
What is the SMILES notation for CID 175310936?
The canonical SMILES for CID 175310936 is [Mo].[O-]P([O-])(=S)[S-].[O-]S[O-].
What is the InChIKey of CID 175310936?
The InChIKey is SQXYTRAGUHFQDT-UHFFFAOYSA-I. The full InChI is InChI=1S/Mo.H3O2PS2.H2O2S/c;1-3(2,4)5;1-3-2/h;(H3,1,2,4,5);1-2H/p-5.
What are the key properties of CID 175310936?
CID 175310936 has a molecular weight of 287.11 g/mol, XLogP of -1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175310936 is sourced from PubChem (CID 175310936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).