1-bromothieno[3,4-g][2]benzothiole

C10H5BrS2 — CID 13237998

IUPAC1-bromothieno[3,4-g][2]benzothiole
SMILESBrc1scc2ccc3cscc3c12
InChIInChI=1S/C10H5BrS2/c11-10-9-7(4-13-10)2-1-6-3-12-5-8(6)9/h1-5H
InChIKeyQDLUUWIECQAOLE-UHFFFAOYSA-N
MW269.19 g/mol
LogP4.88
Rot. Bonds

About 1-bromothieno[3,4-g][2]benzothiole

1-bromothieno[3,4-g][2]benzothiole (PubChem CID 13237998) has the molecular formula C10H5BrS2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-bromothieno[3,4-g][2]benzothiole.

Molecular Properties

Compound Name1-bromothieno[3,4-g][2]benzothiole
PubChem CID13237998
Molecular FormulaC10H5BrS2
Molecular Weight269.19 g/mol
Exact Mass267.90
IUPAC Name1-bromothieno[3,4-g][2]benzothiole
SMILESBrc1scc2ccc3cscc3c12
InChIInChI=1S/C10H5BrS2/c11-10-9-7(4-13-10)2-1-6-3-12-5-8(6)9/h1-5H
InChIKeyQDLUUWIECQAOLE-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromothieno[3,4-g][2]benzothiole?
The IUPAC name of 1-bromothieno[3,4-g][2]benzothiole (CID 13237998) is 1-bromothieno[3,4-g][2]benzothiole.
What is the SMILES notation for 1-bromothieno[3,4-g][2]benzothiole?
The canonical SMILES for 1-bromothieno[3,4-g][2]benzothiole is Brc1scc2ccc3cscc3c12.
What is the InChIKey of 1-bromothieno[3,4-g][2]benzothiole?
The InChIKey is QDLUUWIECQAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrS2/c11-10-9-7(4-13-10)2-1-6-3-12-5-8(6)9/h1-5H.
What are the key properties of 1-bromothieno[3,4-g][2]benzothiole?
1-bromothieno[3,4-g][2]benzothiole has a molecular weight of 269.19 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromothieno[3,4-g][2]benzothiole is sourced from PubChem (CID 13237998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).