CID 161110545

H3CrNaO8S2 — CID 161110545

IUPAC—
SMILESO=S(O)S(=O)O.O=[Cr](=O)([O-])O.[Na+]
InChIInChI=1S/Cr.Na.H2O4S2.H2O.3O/c;;1-5(2)6(3)4;;;;/h;;(H,1,2)(H,3,4);1H2;;;/q2*+1;;;;;-1/p-1
InChIKeyPMPYJELYNBHFPO-UHFFFAOYSA-M
MW270.14 g/mol
LogP-5.64
Rot. Bonds1

About CID 161110545

CID 161110545 (PubChem CID 161110545) has the molecular formula H3CrNaO8S2 and a molecular weight of 270.14 g/mol.

Molecular Properties

Compound NameCID 161110545
PubChem CID161110545
Molecular FormulaH3CrNaO8S2
Molecular Weight270.14 g/mol
Exact Mass269.86
IUPAC Name—
SMILESO=S(O)S(=O)O.O=[Cr](=O)([O-])O.[Na+]
InChIInChI=1S/Cr.Na.H2O4S2.H2O.3O/c;;1-5(2)6(3)4;;;;/h;;(H,1,2)(H,3,4);1H2;;;/q2*+1;;;;;-1/p-1
InChIKeyPMPYJELYNBHFPO-UHFFFAOYSA-M
XLogP-5.64
TPSA152.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 5-5.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161110545?
The IUPAC name of CID 161110545 (CID 161110545) is not available.
What is the SMILES notation for CID 161110545?
The canonical SMILES for CID 161110545 is O=S(O)S(=O)O.O=[Cr](=O)([O-])O.[Na+].
What is the InChIKey of CID 161110545?
The InChIKey is PMPYJELYNBHFPO-UHFFFAOYSA-M. The full InChI is InChI=1S/Cr.Na.H2O4S2.H2O.3O/c;;1-5(2)6(3)4;;;;/h;;(H,1,2)(H,3,4);1H2;;;/q2*+1;;;;;-1/p-1.
What are the key properties of CID 161110545?
CID 161110545 has a molecular weight of 270.14 g/mol, XLogP of -5.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161110545 is sourced from PubChem (CID 161110545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).