2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene

C9H6Br2S2 — CID 10925774

IUPAC2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene
SMILESBrc1ccc(Cc2ccc(Br)s2)s1
InChIInChI=1S/C9H6Br2S2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4H,5H2
InChIKeyXTXVRWYTFVOPCF-UHFFFAOYSA-N
MW338.09 g/mol
LogP4.93
Rot. Bonds2

About 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene

2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene (PubChem CID 10925774) has the molecular formula C9H6Br2S2 and a molecular weight of 338.09 g/mol. Its IUPAC name is 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene
PubChem CID10925774
Molecular FormulaC9H6Br2S2
Molecular Weight338.09 g/mol
Exact Mass335.83
IUPAC Name2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene
SMILESBrc1ccc(Cc2ccc(Br)s2)s1
InChIInChI=1S/C9H6Br2S2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4H,5H2
InChIKeyXTXVRWYTFVOPCF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.09
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene (CID 10925774) is 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene is Brc1ccc(Cc2ccc(Br)s2)s1.
What is the InChIKey of 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene?
The InChIKey is XTXVRWYTFVOPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2S2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4H,5H2.
What are the key properties of 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene?
2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene has a molecular weight of 338.09 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-bromothiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 10925774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).