CID 139047404

H4Ba2GeS4 — CID 139047404

IUPAC—
SMILES[Ba+2].[Ba+2].[Ge].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/2Ba.Ge.4H2S/h;;;4*1H2/q2*+2;;;;;/p-4
InChIKeyRBYKEADJTFCBTA-UHFFFAOYSA-J
MW479.57 g/mol
LogP-2.22
Rot. Bonds

About CID 139047404

CID 139047404 (PubChem CID 139047404) has the molecular formula H4Ba2GeS4 and a molecular weight of 479.57 g/mol.

Molecular Properties

Compound NameCID 139047404
PubChem CID139047404
Molecular FormulaH4Ba2GeS4
Molecular Weight479.57 g/mol
Exact Mass481.65
IUPAC Name—
SMILES[Ba+2].[Ba+2].[Ge].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/2Ba.Ge.4H2S/h;;;4*1H2/q2*+2;;;;;/p-4
InChIKeyRBYKEADJTFCBTA-UHFFFAOYSA-J
XLogP-2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 139047404 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 139052864
CID 139052864
CID 173410991
CID 173410991
CID 6326953
CID 6326953
tris(barium(2+));hydride
CID 173368443
bis(barium(2+));nickel(2+);hexahydroxide
CID 139140279
Germane--manganese (2/5)
CID 78062251
CID 139595206
CID 139595206
germanium;silicon
CID 10313087
azanide;bis(barium(2+))
CID 139047185
trisodium;barium(2+)
CID 18534237
CID 158032351
CID 158032351
bis(barium(2+));tetrahydroxide
CID 139046813

Frequently Asked Questions

What is the IUPAC name of CID 139047404?
The IUPAC name of CID 139047404 (CID 139047404) is not available.
What is the SMILES notation for CID 139047404?
The canonical SMILES for CID 139047404 is [Ba+2].[Ba+2].[Ge].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139047404?
The InChIKey is RBYKEADJTFCBTA-UHFFFAOYSA-J. The full InChI is InChI=1S/2Ba.Ge.4H2S/h;;;4*1H2/q2*+2;;;;;/p-4.
What are the key properties of CID 139047404?
CID 139047404 has a molecular weight of 479.57 g/mol, XLogP of -2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139047404 is sourced from PubChem (CID 139047404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).