dichloronickel;thiourea

CH4Cl2N2NiS — CID 175066699

IUPACdichloronickel;thiourea
SMILESCl[Ni]Cl.NC(N)=S
InChIInChI=1S/CH4N2S.2ClH.Ni/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyZRTMLJKICFRFCP-UHFFFAOYSA-L
MW205.72 g/mol
LogP0.57
Rot. Bonds

About dichloronickel;thiourea

dichloronickel;thiourea (PubChem CID 175066699) has the molecular formula CH4Cl2N2NiS and a molecular weight of 205.72 g/mol. Its IUPAC name is dichloronickel;thiourea.

Molecular Properties

Compound Namedichloronickel;thiourea
PubChem CID175066699
Molecular FormulaCH4Cl2N2NiS
Molecular Weight205.72 g/mol
Exact Mass203.88
IUPAC Namedichloronickel;thiourea
SMILESCl[Ni]Cl.NC(N)=S
InChIInChI=1S/CH4N2S.2ClH.Ni/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2
InChIKeyZRTMLJKICFRFCP-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 ≤ 500205.72
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 dichloronickel;thiourea?
The IUPAC name of dichloronickel;thiourea (CID 175066699) is dichloronickel;thiourea.
What is the SMILES notation for dichloronickel;thiourea?
The canonical SMILES for dichloronickel;thiourea is Cl[Ni]Cl.NC(N)=S.
What is the InChIKey of dichloronickel;thiourea?
The InChIKey is ZRTMLJKICFRFCP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4N2S.2ClH.Ni/c2-1(3)4;;;/h(H4,2,3,4);2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;thiourea?
dichloronickel;thiourea has a molecular weight of 205.72 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 dichloronickel;thiourea is sourced from PubChem (CID 175066699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).