chempirical

31032-13-0

C12H22AuI3N2S2CAS 31032-13-0836.12 g/mol

Open in Covalent MOL file
SNHSNHIAuII

Properties

Molecular formula
C12H22AuI3N2S2
Molar mass
836.12 g/mol
Exact mass
835.8024 Da
logP
5.61Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
31032-13-0
SMILES
C1CCC(=S)NCC1.C1CCC(=S)NCC1.I[Au](I)I
InChIKey
IVYIOFMTTFJHNW-UHFFFAOYSA-K
InChI
InChI=1S/2C6H11NS.Au.3HI/c2*8-6-4-2-1-3-5-7-6;;;;/h2*1-5H2,(H,7,8);;3*1H/q;;+3;;;/p-3

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Work with 31032-13-0

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N1,N2-Didodecylethanedithioamide120-88-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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