carbamic acid;nickel(2+);sulfanide

CH5NNiO2S2 — CID 175324677

IUPACcarbamic acid;nickel(2+);sulfanide
SMILESNC(=O)O.[Ni+2].[SH-].[SH-]
InChIInChI=1S/CH3NO2.Ni.2H2S/c2-1(3)4;;;/h2H2,(H,3,4);;2*1H2/q;+2;;/p-2
InChIKeyYHKDVTCGKKGYLZ-UHFFFAOYSA-L
MW185.88 g/mol
LogP-0.92
Rot. Bonds

About carbamic acid;nickel(2+);sulfanide

carbamic acid;nickel(2+);sulfanide (PubChem CID 175324677) has the molecular formula CH5NNiO2S2 and a molecular weight of 185.88 g/mol. Its IUPAC name is carbamic acid;nickel(2+);sulfanide.

Molecular Properties

Compound Namecarbamic acid;nickel(2+);sulfanide
PubChem CID175324677
Molecular FormulaCH5NNiO2S2
Molecular Weight185.88 g/mol
Exact Mass184.91
IUPAC Namecarbamic acid;nickel(2+);sulfanide
SMILESNC(=O)O.[Ni+2].[SH-].[SH-]
InChIInChI=1S/CH3NO2.Ni.2H2S/c2-1(3)4;;;/h2H2,(H,3,4);;2*1H2/q;+2;;/p-2
InChIKeyYHKDVTCGKKGYLZ-UHFFFAOYSA-L
XLogP-0.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.88
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;nickel(2+);sulfanide?
The IUPAC name of carbamic acid;nickel(2+);sulfanide (CID 175324677) is carbamic acid;nickel(2+);sulfanide.
What is the SMILES notation for carbamic acid;nickel(2+);sulfanide?
The canonical SMILES for carbamic acid;nickel(2+);sulfanide is NC(=O)O.[Ni+2].[SH-].[SH-].
What is the InChIKey of carbamic acid;nickel(2+);sulfanide?
The InChIKey is YHKDVTCGKKGYLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3NO2.Ni.2H2S/c2-1(3)4;;;/h2H2,(H,3,4);;2*1H2/q;+2;;/p-2.
What are the key properties of carbamic acid;nickel(2+);sulfanide?
carbamic acid;nickel(2+);sulfanide has a molecular weight of 185.88 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;nickel(2+);sulfanide is sourced from PubChem (CID 175324677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).