2,5-bis(4-bromothiophen-2-yl)thiophene

C12H6Br2S3 — CID 11143949

IUPAC2,5-bis(4-bromothiophen-2-yl)thiophene
SMILESBrc1csc(-c2ccc(-c3cc(Br)cs3)s2)c1
InChIInChI=1S/C12H6Br2S3/c13-7-3-11(15-5-7)9-1-2-10(17-9)12-4-8(14)6-16-12/h1-6H
InChIKeyYWDFGMRHOUBVNC-UHFFFAOYSA-N
MW406.19 g/mol
LogP6.73
Rot. Bonds2

About 2,5-bis(4-bromothiophen-2-yl)thiophene

2,5-bis(4-bromothiophen-2-yl)thiophene (PubChem CID 11143949) has the molecular formula C12H6Br2S3 and a molecular weight of 406.19 g/mol. Its IUPAC name is 2,5-bis(4-bromothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-bromothiophen-2-yl)thiophene
PubChem CID11143949
Molecular FormulaC12H6Br2S3
Molecular Weight406.19 g/mol
Exact Mass403.80
IUPAC Name2,5-bis(4-bromothiophen-2-yl)thiophene
SMILESBrc1csc(-c2ccc(-c3cc(Br)cs3)s2)c1
InChIInChI=1S/C12H6Br2S3/c13-7-3-11(15-5-7)9-1-2-10(17-9)12-4-8(14)6-16-12/h1-6H
InChIKeyYWDFGMRHOUBVNC-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.19
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
4-bromo-2-(4-fluorophenyl)thiophene
CID 69105863
4-bromo-2-(2-chlorophenyl)thiophene
CID 175178773
2-(4-bromothiophen-2-yl)aniline
CID 57177797
3-(4-bromothiophen-2-yl)pyridine
CID 22180781
4-(4-bromothiophen-2-yl)-3-chloroaniline
CID 154666152
4-bromo-2-(3-chloro-4-fluorophenyl)thiophene
CID 132562046
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
2-(4-chlorothiophen-2-yl)-5-methylthiophene
CID 58778168
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
CID 116888006
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
CID 136849095

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-bromothiophen-2-yl)thiophene?
The IUPAC name of 2,5-bis(4-bromothiophen-2-yl)thiophene (CID 11143949) is 2,5-bis(4-bromothiophen-2-yl)thiophene.
What is the SMILES notation for 2,5-bis(4-bromothiophen-2-yl)thiophene?
The canonical SMILES for 2,5-bis(4-bromothiophen-2-yl)thiophene is Brc1csc(-c2ccc(-c3cc(Br)cs3)s2)c1.
What is the InChIKey of 2,5-bis(4-bromothiophen-2-yl)thiophene?
The InChIKey is YWDFGMRHOUBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2S3/c13-7-3-11(15-5-7)9-1-2-10(17-9)12-4-8(14)6-16-12/h1-6H.
What are the key properties of 2,5-bis(4-bromothiophen-2-yl)thiophene?
2,5-bis(4-bromothiophen-2-yl)thiophene has a molecular weight of 406.19 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-bromothiophen-2-yl)thiophene is sourced from PubChem (CID 11143949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).