3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide

C8H5BrS3 — CID 67340695

IUPAC3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
SMILESBr.c1cc2c(s1)sc1ccsc12
InChIInChI=1S/C8H4S3.BrH/c1-3-10-8-5(1)7-6(11-8)2-4-9-7;/h1-4H;1H
InChIKeyORYGKKAVVQVMFB-UHFFFAOYSA-N
MW277.23 g/mol
LogP4.76
Rot. Bonds

About 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide

3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide (PubChem CID 67340695) has the molecular formula C8H5BrS3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide.

Molecular Properties

Compound Name3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
PubChem CID67340695
Molecular FormulaC8H5BrS3
Molecular Weight277.23 g/mol
Exact Mass275.87
IUPAC Name3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
SMILESBr.c1cc2c(s1)sc1ccsc12
InChIInChI=1S/C8H4S3.BrH/c1-3-10-8-5(1)7-6(11-8)2-4-9-7;/h1-4H;1H
InChIKeyORYGKKAVVQVMFB-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide?
The IUPAC name of 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide (CID 67340695) is 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide.
What is the SMILES notation for 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide?
The canonical SMILES for 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide is Br.c1cc2c(s1)sc1ccsc12.
What is the InChIKey of 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide?
The InChIKey is ORYGKKAVVQVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4S3.BrH/c1-3-10-8-5(1)7-6(11-8)2-4-9-7;/h1-4H;1H.
What are the key properties of 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide?
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide has a molecular weight of 277.23 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide is sourced from PubChem (CID 67340695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).