dichlorocopper;thiourea

CH4Cl2CuN2S — CID 12641073

IUPACdichlorocopper;thiourea
SMILESCl[Cu]Cl.NC(N)=S
InChIInChI=1S/CH4N2S.2ClH.Cu/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyQAAYIQXTQGYEEP-UHFFFAOYSA-L
MW210.58 g/mol
LogP0.57
Rot. Bonds

About dichlorocopper;thiourea

dichlorocopper;thiourea (PubChem CID 12641073) has the molecular formula CH4Cl2CuN2S and a molecular weight of 210.58 g/mol. Its IUPAC name is dichlorocopper;thiourea.

Molecular Properties

Compound Namedichlorocopper;thiourea
PubChem CID12641073
Molecular FormulaCH4Cl2CuN2S
Molecular Weight210.58 g/mol
Exact Mass208.88
IUPAC Namedichlorocopper;thiourea
SMILESCl[Cu]Cl.NC(N)=S
InChIInChI=1S/CH4N2S.2ClH.Cu/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyQAAYIQXTQGYEEP-UHFFFAOYSA-L
XLogP0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dichlorocopper;thiourea?
The IUPAC name of dichlorocopper;thiourea (CID 12641073) is dichlorocopper;thiourea.
What is the SMILES notation for dichlorocopper;thiourea?
The canonical SMILES for dichlorocopper;thiourea is Cl[Cu]Cl.NC(N)=S.
What is the InChIKey of dichlorocopper;thiourea?
The InChIKey is QAAYIQXTQGYEEP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4N2S.2ClH.Cu/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocopper;thiourea?
dichlorocopper;thiourea has a molecular weight of 210.58 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;thiourea is sourced from PubChem (CID 12641073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).