carbamoylurea;copper;thiourea

C3H9CuN5O2S — CID 175029091

IUPACcarbamoylurea;copper;thiourea
SMILESNC(=O)NC(N)=O.NC(N)=S.[Cu]
InChIInChI=1S/C2H5N3O2.CH4N2S.Cu/c3-1(6)5-2(4)7;2-1(3)4;/h(H5,3,4,5,6,7);(H4,2,3,4);
InChIKeyCLERRQBNHVHGSD-UHFFFAOYSA-N
MW242.75 g/mol
LogP-2.08
Rot. Bonds

About carbamoylurea;copper;thiourea

carbamoylurea;copper;thiourea (PubChem CID 175029091) has the molecular formula C3H9CuN5O2S and a molecular weight of 242.75 g/mol. Its IUPAC name is carbamoylurea;copper;thiourea.

Molecular Properties

Compound Namecarbamoylurea;copper;thiourea
PubChem CID175029091
Molecular FormulaC3H9CuN5O2S
Molecular Weight242.75 g/mol
Exact Mass241.98
IUPAC Namecarbamoylurea;copper;thiourea
SMILESNC(=O)NC(N)=O.NC(N)=S.[Cu]
InChIInChI=1S/C2H5N3O2.CH4N2S.Cu/c3-1(6)5-2(4)7;2-1(3)4;/h(H5,3,4,5,6,7);(H4,2,3,4);
InChIKeyCLERRQBNHVHGSD-UHFFFAOYSA-N
XLogP-2.08
TPSA150.25 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamoylurea;copper;thiourea?
The IUPAC name of carbamoylurea;copper;thiourea (CID 175029091) is carbamoylurea;copper;thiourea.
What is the SMILES notation for carbamoylurea;copper;thiourea?
The canonical SMILES for carbamoylurea;copper;thiourea is NC(=O)NC(N)=O.NC(N)=S.[Cu].
What is the InChIKey of carbamoylurea;copper;thiourea?
The InChIKey is CLERRQBNHVHGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2.CH4N2S.Cu/c3-1(6)5-2(4)7;2-1(3)4;/h(H5,3,4,5,6,7);(H4,2,3,4);.
What are the key properties of carbamoylurea;copper;thiourea?
carbamoylurea;copper;thiourea has a molecular weight of 242.75 g/mol, XLogP of -2.08, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;copper;thiourea is sourced from PubChem (CID 175029091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).