butyl N,N-bis(sulfanyl)carbamate;nickel

C5H11NNiO2S2 — CID 88645134

IUPACbutyl N,N-bis(sulfanyl)carbamate;nickel
SMILESCCCCOC(=O)N(S)S.[Ni]
InChIInChI=1S/C5H11NO2S2.Ni/c1-2-3-4-8-5(7)6(9)10;/h9-10H,2-4H2,1H3;
InChIKeyCDYBUBWCXUVDAJ-UHFFFAOYSA-N
MW239.97 g/mol
LogP1.91
Rot. Bonds3

About butyl N,N-bis(sulfanyl)carbamate;nickel

butyl N,N-bis(sulfanyl)carbamate;nickel (PubChem CID 88645134) has the molecular formula C5H11NNiO2S2 and a molecular weight of 239.97 g/mol. Its IUPAC name is butyl N,N-bis(sulfanyl)carbamate;nickel.

Molecular Properties

Compound Namebutyl N,N-bis(sulfanyl)carbamate;nickel
PubChem CID88645134
Molecular FormulaC5H11NNiO2S2
Molecular Weight239.97 g/mol
Exact Mass238.96
IUPAC Namebutyl N,N-bis(sulfanyl)carbamate;nickel
SMILESCCCCOC(=O)N(S)S.[Ni]
InChIInChI=1S/C5H11NO2S2.Ni/c1-2-3-4-8-5(7)6(9)10;/h9-10H,2-4H2,1H3;
InChIKeyCDYBUBWCXUVDAJ-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.97
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
pentan-1-amine;pentyl N,N-bis(sulfanyl)carbamate
CID 174271508
butyl N-amino-N-ethylcarbamate
CID 87167247
2-aminoethyl N,N-bis(sulfanyl)carbamate
CID 87837441
pentyl N,N-dimethylcarbamate
CID 18534522
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051
calcium;butyl hydrogen carbonate;hydride
CID 173385932
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
butyl N-butoxycarbonyl-N-(butoxycarbonylamino)carbamate
CID 141225317

Frequently Asked Questions

What is the IUPAC name of butyl N,N-bis(sulfanyl)carbamate;nickel?
The IUPAC name of butyl N,N-bis(sulfanyl)carbamate;nickel (CID 88645134) is butyl N,N-bis(sulfanyl)carbamate;nickel.
What is the SMILES notation for butyl N,N-bis(sulfanyl)carbamate;nickel?
The canonical SMILES for butyl N,N-bis(sulfanyl)carbamate;nickel is CCCCOC(=O)N(S)S.[Ni].
What is the InChIKey of butyl N,N-bis(sulfanyl)carbamate;nickel?
The InChIKey is CDYBUBWCXUVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S2.Ni/c1-2-3-4-8-5(7)6(9)10;/h9-10H,2-4H2,1H3;.
What are the key properties of butyl N,N-bis(sulfanyl)carbamate;nickel?
butyl N,N-bis(sulfanyl)carbamate;nickel has a molecular weight of 239.97 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-bis(sulfanyl)carbamate;nickel is sourced from PubChem (CID 88645134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).