CID 134943055

C12H10As2S2 — CID 134943055

IUPAC—
SMILES[As]SCc1ccc(CS[As])c2ccccc12
InChIInChI=1S/C12H10As2S2/c13-15-7-9-5-6-10(8-16-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2
InChIKeyHEPSLWVPQCJVQN-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.47
Rot. Bonds4

About CID 134943055

CID 134943055 (PubChem CID 134943055) has the molecular formula C12H10As2S2 and a molecular weight of 368.19 g/mol.

Molecular Properties

Compound NameCID 134943055
PubChem CID134943055
Molecular FormulaC12H10As2S2
Molecular Weight368.19 g/mol
Exact Mass367.87
IUPAC Name—
SMILES[As]SCc1ccc(CS[As])c2ccccc12
InChIInChI=1S/C12H10As2S2/c13-15-7-9-5-6-10(8-16-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2
InChIKeyHEPSLWVPQCJVQN-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134943055?
The IUPAC name of CID 134943055 (CID 134943055) is not available.
What is the SMILES notation for CID 134943055?
The canonical SMILES for CID 134943055 is [As]SCc1ccc(CS[As])c2ccccc12.
What is the InChIKey of CID 134943055?
The InChIKey is HEPSLWVPQCJVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10As2S2/c13-15-7-9-5-6-10(8-16-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2.
What are the key properties of CID 134943055?
CID 134943055 has a molecular weight of 368.19 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134943055 is sourced from PubChem (CID 134943055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).