CID 172742372

C2GeN2S2 — CID 172742372

IUPAC—
SMILESN#CS[Ge]SC#N
InChIInChI=1S/C2GeN2S2/c4-1-6-3-7-2-5
InChIKeyJGSKZNKJRBSIJB-UHFFFAOYSA-N
MW188.78 g/mol
LogP0.95
Rot. Bonds2

About CID 172742372

CID 172742372 (PubChem CID 172742372) has the molecular formula C2GeN2S2 and a molecular weight of 188.78 g/mol.

Molecular Properties

Compound NameCID 172742372
PubChem CID172742372
Molecular FormulaC2GeN2S2
Molecular Weight188.78 g/mol
Exact Mass189.87
IUPAC Name—
SMILESN#CS[Ge]SC#N
InChIInChI=1S/C2GeN2S2/c4-1-6-3-7-2-5
InChIKeyJGSKZNKJRBSIJB-UHFFFAOYSA-N
XLogP0.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.78
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

methyl thiocyanate
CID 11168
silver cyano thiocyanate
CID 161081862
acetonitrile;triacontahydrate
CID 141398921
(1-thiocyanatocyclopropyl) thiocyanate
CID 130442431
hydron;methyl thiocyanate
CID 174813851
bis(acetonitrile);tetrachlorotitanium
CID 14833458
cobalt;thiocyanatomercury
CID 57376817
acetonitrile;hydron
CID 22154984
tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
tris(acetonitrile);chromium
CID 160909173
acetonitrile;alumane
CID 174397920

Frequently Asked Questions

What is the IUPAC name of CID 172742372?
The IUPAC name of CID 172742372 (CID 172742372) is not available.
What is the SMILES notation for CID 172742372?
The canonical SMILES for CID 172742372 is N#CS[Ge]SC#N.
What is the InChIKey of CID 172742372?
The InChIKey is JGSKZNKJRBSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2GeN2S2/c4-1-6-3-7-2-5.
What are the key properties of CID 172742372?
CID 172742372 has a molecular weight of 188.78 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172742372 is sourced from PubChem (CID 172742372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).