diiodopalladium;thiourea

C4H16I2N8PdS4 — CID 11828494

IUPACdiiodopalladium;thiourea
SMILESI[Pd]I.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S
InChIInChI=1S/4CH4N2S.2HI.Pd/c4*2-1(3)4;;;/h4*(H4,2,3,4);2*1H;/q;;;;;;+2/p-2
InChIKeyCZAHMHRVSGRFCB-UHFFFAOYSA-L
MW664.72 g/mol
LogP-1.48
Rot. Bonds

About diiodopalladium;thiourea

diiodopalladium;thiourea (PubChem CID 11828494) has the molecular formula C4H16I2N8PdS4 and a molecular weight of 664.72 g/mol. Its IUPAC name is diiodopalladium;thiourea.

Molecular Properties

Compound Namediiodopalladium;thiourea
PubChem CID11828494
Molecular FormulaC4H16I2N8PdS4
Molecular Weight664.72 g/mol
Exact Mass663.75
IUPAC Namediiodopalladium;thiourea
SMILESI[Pd]I.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S
InChIInChI=1S/4CH4N2S.2HI.Pd/c4*2-1(3)4;;;/h4*(H4,2,3,4);2*1H;/q;;;;;;+2/p-2
InChIKeyCZAHMHRVSGRFCB-UHFFFAOYSA-L
XLogP-1.48
TPSA208.16 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.72
LogP ≤ 5-1.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thiourea;tetrahydrobromide
CID 173150762
silane;thiourea
CID 159977961
beryllium;hydride;thiourea
CID 174830169
λ2-stannane;thiourea;hydrochloride
CID 174415369
magnesium dicarbamodithioate
CID 23080754
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
sodium;carbamodithioic acid;hydride
CID 173103786
thiourea;urea
CID 22007323
molybdenum carbamodithioate
CID 141150740
gold(1+) carbamodithioate
CID 118378800
barium(2+);hydride;thiourea;hydrate
CID 175350134
molybdenum;zinc;carbamodithioate
CID 174974213

Frequently Asked Questions

What is the IUPAC name of diiodopalladium;thiourea?
The IUPAC name of diiodopalladium;thiourea (CID 11828494) is diiodopalladium;thiourea.
What is the SMILES notation for diiodopalladium;thiourea?
The canonical SMILES for diiodopalladium;thiourea is I[Pd]I.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S.
What is the InChIKey of diiodopalladium;thiourea?
The InChIKey is CZAHMHRVSGRFCB-UHFFFAOYSA-L. The full InChI is InChI=1S/4CH4N2S.2HI.Pd/c4*2-1(3)4;;;/h4*(H4,2,3,4);2*1H;/q;;;;;;+2/p-2.
What are the key properties of diiodopalladium;thiourea?
diiodopalladium;thiourea has a molecular weight of 664.72 g/mol, XLogP of -1.48, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodopalladium;thiourea is sourced from PubChem (CID 11828494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).