2,2'-spirobi[1,3,2λ4-benzodithiatellurole]

C12H8S4Te — CID 134996847

IUPAC2,2'-spirobi[1,3,2λ4-benzodithiatellurole]
SMILESc1ccc2c(c1)S[Te]1(S2)Sc2ccccc2S1
InChIInChI=1S/C12H8S4Te/c1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h1-8H
InChIKeyGWODSFKXCPMIBU-UHFFFAOYSA-N
MW408.06 g/mol
LogP5.22
Rot. Bonds

About 2,2'-spirobi[1,3,2λ4-benzodithiatellurole]

2,2'-spirobi[1,3,2λ4-benzodithiatellurole] (PubChem CID 134996847) has the molecular formula C12H8S4Te and a molecular weight of 408.06 g/mol. Its IUPAC name is 2,2'-spirobi[1,3,2λ4-benzodithiatellurole].

Molecular Properties

Compound Name2,2'-spirobi[1,3,2λ4-benzodithiatellurole]
PubChem CID134996847
Molecular FormulaC12H8S4Te
Molecular Weight408.06 g/mol
Exact Mass409.86
IUPAC Name2,2'-spirobi[1,3,2λ4-benzodithiatellurole]
SMILESc1ccc2c(c1)S[Te]1(S2)Sc2ccccc2S1
InChIInChI=1S/C12H8S4Te/c1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h1-8H
InChIKeyGWODSFKXCPMIBU-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.06
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2'-spirobi[1,3,2λ4-benzodithiatellurole]?
The IUPAC name of 2,2'-spirobi[1,3,2λ4-benzodithiatellurole] (CID 134996847) is 2,2'-spirobi[1,3,2λ4-benzodithiatellurole].
What is the SMILES notation for 2,2'-spirobi[1,3,2λ4-benzodithiatellurole]?
The canonical SMILES for 2,2'-spirobi[1,3,2λ4-benzodithiatellurole] is c1ccc2c(c1)S[Te]1(S2)Sc2ccccc2S1.
What is the InChIKey of 2,2'-spirobi[1,3,2λ4-benzodithiatellurole]?
The InChIKey is GWODSFKXCPMIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S4Te/c1-2-6-10-9(5-1)13-17(14-10)15-11-7-3-4-8-12(11)16-17/h1-8H.
What are the key properties of 2,2'-spirobi[1,3,2λ4-benzodithiatellurole]?
2,2'-spirobi[1,3,2λ4-benzodithiatellurole] has a molecular weight of 408.06 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[1,3,2λ4-benzodithiatellurole] is sourced from PubChem (CID 134996847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).