CID 5194777

C8H4S10Zn-2 — CID 5194777

IUPAC—
SMILES[S-]C1SC2=C(S[CH-]S2)S1.[S-]C1SC2=C(S[CH-]S2)S1.[Zn+2]
InChIInChI=1S/2C4H3S5.Zn/c2*5-4-8-2-3(9-4)7-1-6-2;/h2*1,4-5H;/q2*-1;+2/p-2
InChIKeyCGCZUOZMNMMKOP-UHFFFAOYSA-L
MW486.18 g/mol
LogP6.04
Rot. Bonds

About CID 5194777

CID 5194777 (PubChem CID 5194777) has the molecular formula C8H4S10Zn-2 and a molecular weight of 486.18 g/mol.

Molecular Properties

Compound NameCID 5194777
PubChem CID5194777
Molecular FormulaC8H4S10Zn-2
Molecular Weight486.18 g/mol
Exact Mass483.68
IUPAC Name—
SMILES[S-]C1SC2=C(S[CH-]S2)S1.[S-]C1SC2=C(S[CH-]S2)S1.[Zn+2]
InChIInChI=1S/2C4H3S5.Zn/c2*5-4-8-2-3(9-4)7-1-6-2;/h2*1,4-5H;/q2*-1;+2/p-2
InChIKeyCGCZUOZMNMMKOP-UHFFFAOYSA-L
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.18
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5194777?
The IUPAC name of CID 5194777 (CID 5194777) is not available.
What is the SMILES notation for CID 5194777?
The canonical SMILES for CID 5194777 is [S-]C1SC2=C(S[CH-]S2)S1.[S-]C1SC2=C(S[CH-]S2)S1.[Zn+2].
What is the InChIKey of CID 5194777?
The InChIKey is CGCZUOZMNMMKOP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H3S5.Zn/c2*5-4-8-2-3(9-4)7-1-6-2;/h2*1,4-5H;/q2*-1;+2/p-2.
What are the key properties of CID 5194777?
CID 5194777 has a molecular weight of 486.18 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5194777 is sourced from PubChem (CID 5194777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).