carbanide;ethanebis(dithioate);bis(gold(3+))

C6H12Au2S4 — CID 135083321

IUPACcarbanide;ethanebis(dithioate);bis(gold(3+))
SMILESS=C([S-])C(=S)[S-].[Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C2H2S4.4CH3.2Au/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);4*1H3;;/q;4*-1;2*+3/p-2
InChIKeyWINHSIVQQKOQIK-UHFFFAOYSA-L
MW606.36 g/mol
LogP2.53
Rot. Bonds1

About carbanide;ethanebis(dithioate);bis(gold(3+))

carbanide;ethanebis(dithioate);bis(gold(3+)) (PubChem CID 135083321) has the molecular formula C6H12Au2S4 and a molecular weight of 606.36 g/mol. Its IUPAC name is carbanide;ethanebis(dithioate);bis(gold(3+)).

Molecular Properties

Compound Namecarbanide;ethanebis(dithioate);bis(gold(3+))
PubChem CID135083321
Molecular FormulaC6H12Au2S4
Molecular Weight606.36 g/mol
Exact Mass605.92
IUPAC Namecarbanide;ethanebis(dithioate);bis(gold(3+))
SMILESS=C([S-])C(=S)[S-].[Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C2H2S4.4CH3.2Au/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);4*1H3;;/q;4*-1;2*+3/p-2
InChIKeyWINHSIVQQKOQIK-UHFFFAOYSA-L
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

disodium;ethanebis(dithioate)
CID 87697624
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
potassium N,N-dimethylcarbamodithioate
CID 23662387
potassium ethanedithioate
CID 21335195
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
molybdenum carbamodithioate
CID 141150740
magnesium dicarbamodithioate
CID 23080754
gold(1+) carbamodithioate
CID 118378800
sodium sulfaniumylmethanedithioate
CID 59660069
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344

Frequently Asked Questions

What is the IUPAC name of carbanide;ethanebis(dithioate);bis(gold(3+))?
The IUPAC name of carbanide;ethanebis(dithioate);bis(gold(3+)) (CID 135083321) is carbanide;ethanebis(dithioate);bis(gold(3+)).
What is the SMILES notation for carbanide;ethanebis(dithioate);bis(gold(3+))?
The canonical SMILES for carbanide;ethanebis(dithioate);bis(gold(3+)) is S=C([S-])C(=S)[S-].[Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;ethanebis(dithioate);bis(gold(3+))?
The InChIKey is WINHSIVQQKOQIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2S4.4CH3.2Au/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);4*1H3;;/q;4*-1;2*+3/p-2.
What are the key properties of carbanide;ethanebis(dithioate);bis(gold(3+))?
carbanide;ethanebis(dithioate);bis(gold(3+)) has a molecular weight of 606.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethanebis(dithioate);bis(gold(3+)) is sourced from PubChem (CID 135083321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).