aminothiourea;dichlorocadmium;hydrate

CH7CdCl2N3OS — CID 174579206

IUPACaminothiourea;dichlorocadmium;hydrate
SMILESCl[Cd]Cl.NNC(N)=S.O
InChIInChI=1S/CH5N3S.Cd.2ClH.H2O/c2-1(5)4-3;;;;/h3H2,(H3,2,4,5);;2*1H;1H2/q;+2;;;/p-2
InChIKeyHOHDTQYFOMFROK-UHFFFAOYSA-L
MW292.47 g/mol
LogP-0.75
Rot. Bonds

About aminothiourea;dichlorocadmium;hydrate

aminothiourea;dichlorocadmium;hydrate (PubChem CID 174579206) has the molecular formula CH7CdCl2N3OS and a molecular weight of 292.47 g/mol. Its IUPAC name is aminothiourea;dichlorocadmium;hydrate.

Molecular Properties

Compound Nameaminothiourea;dichlorocadmium;hydrate
PubChem CID174579206
Molecular FormulaCH7CdCl2N3OS
Molecular Weight292.47 g/mol
Exact Mass292.87
IUPAC Nameaminothiourea;dichlorocadmium;hydrate
SMILESCl[Cd]Cl.NNC(N)=S.O
InChIInChI=1S/CH5N3S.Cd.2ClH.H2O/c2-1(5)4-3;;;;/h3H2,(H3,2,4,5);;2*1H;1H2/q;+2;;;/p-2
InChIKeyHOHDTQYFOMFROK-UHFFFAOYSA-L
XLogP-0.75
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminothiourea;dichlorocadmium;hydrate?
The IUPAC name of aminothiourea;dichlorocadmium;hydrate (CID 174579206) is aminothiourea;dichlorocadmium;hydrate.
What is the SMILES notation for aminothiourea;dichlorocadmium;hydrate?
The canonical SMILES for aminothiourea;dichlorocadmium;hydrate is Cl[Cd]Cl.NNC(N)=S.O.
What is the InChIKey of aminothiourea;dichlorocadmium;hydrate?
The InChIKey is HOHDTQYFOMFROK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5N3S.Cd.2ClH.H2O/c2-1(5)4-3;;;;/h3H2,(H3,2,4,5);;2*1H;1H2/q;+2;;;/p-2.
What are the key properties of aminothiourea;dichlorocadmium;hydrate?
aminothiourea;dichlorocadmium;hydrate has a molecular weight of 292.47 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;dichlorocadmium;hydrate is sourced from PubChem (CID 174579206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).