2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine

C16H16STe — CID 20731398

IUPAC2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine
SMILESCc1ccc2c(c1)C[Te]Cc1cc(C)ccc1S2
InChIInChI=1S/C16H16STe/c1-11-3-5-15-13(7-11)9-18-10-14-8-12(2)4-6-16(14)17-15/h3-8H,9-10H2,1-2H3
InChIKeyKYKIKJGTOKPTMQ-UHFFFAOYSA-N
MW367.97 g/mol
LogP4.17
Rot. Bonds

About 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine

2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine (PubChem CID 20731398) has the molecular formula C16H16STe and a molecular weight of 367.97 g/mol. Its IUPAC name is 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine.

Molecular Properties

Compound Name2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine
PubChem CID20731398
Molecular FormulaC16H16STe
Molecular Weight367.97 g/mol
Exact Mass370.00
IUPAC Name2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine
SMILESCc1ccc2c(c1)C[Te]Cc1cc(C)ccc1S2
InChIInChI=1S/C16H16STe/c1-11-3-5-15-13(7-11)9-18-10-14-8-12(2)4-6-16(14)17-15/h3-8H,9-10H2,1-2H3
InChIKeyKYKIKJGTOKPTMQ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88781147
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CID 160659064

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine?
The IUPAC name of 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine (CID 20731398) is 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine.
What is the SMILES notation for 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine?
The canonical SMILES for 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine is Cc1ccc2c(c1)C[Te]Cc1cc(C)ccc1S2.
What is the InChIKey of 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine?
The InChIKey is KYKIKJGTOKPTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16STe/c1-11-3-5-15-13(7-11)9-18-10-14-8-12(2)4-6-16(14)17-15/h3-8H,9-10H2,1-2H3.
What are the key properties of 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine?
2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine has a molecular weight of 367.97 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-10,12-dihydrobenzo[b][1,5]benzothiatellurocine is sourced from PubChem (CID 20731398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).