5-bromo-2-propylthieno[3,2-b]thiophene

C9H9BrS2 — CID 150448843

IUPAC5-bromo-2-propylthieno[3,2-b]thiophene
SMILESCCCc1cc2sc(Br)cc2s1
InChIInChI=1S/C9H9BrS2/c1-2-3-6-4-7-8(11-6)5-9(10)12-7/h4-5H,2-3H2,1H3
InChIKeyHNIRVMOKQSGVQB-UHFFFAOYSA-N
MW261.21 g/mol
LogP4.68
Rot. Bonds2

About 5-bromo-2-propylthieno[3,2-b]thiophene

5-bromo-2-propylthieno[3,2-b]thiophene (PubChem CID 150448843) has the molecular formula C9H9BrS2 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-bromo-2-propylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-bromo-2-propylthieno[3,2-b]thiophene
PubChem CID150448843
Molecular FormulaC9H9BrS2
Molecular Weight261.21 g/mol
Exact Mass259.93
IUPAC Name5-bromo-2-propylthieno[3,2-b]thiophene
SMILESCCCc1cc2sc(Br)cc2s1
InChIInChI=1S/C9H9BrS2/c1-2-3-6-4-7-8(11-6)5-9(10)12-7/h4-5H,2-3H2,1H3
InChIKeyHNIRVMOKQSGVQB-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propylthieno[3,2-b]thiophene?
The IUPAC name of 5-bromo-2-propylthieno[3,2-b]thiophene (CID 150448843) is 5-bromo-2-propylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-bromo-2-propylthieno[3,2-b]thiophene?
The canonical SMILES for 5-bromo-2-propylthieno[3,2-b]thiophene is CCCc1cc2sc(Br)cc2s1.
What is the InChIKey of 5-bromo-2-propylthieno[3,2-b]thiophene?
The InChIKey is HNIRVMOKQSGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrS2/c1-2-3-6-4-7-8(11-6)5-9(10)12-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-propylthieno[3,2-b]thiophene?
5-bromo-2-propylthieno[3,2-b]thiophene has a molecular weight of 261.21 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propylthieno[3,2-b]thiophene is sourced from PubChem (CID 150448843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).