2,5-bis(5-nitrothiophen-2-yl)thiophene

C12H6N2O4S3 — CID 11046018

IUPAC2,5-bis(5-nitrothiophen-2-yl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])s3)s2)s1
InChIInChI=1S/C12H6N2O4S3/c15-13(16)11-5-3-9(20-11)7-1-2-8(19-7)10-4-6-12(21-10)14(17)18/h1-6H
InChIKeyGQQAPZPPPKHDNG-UHFFFAOYSA-N
MW338.39 g/mol
LogP5.02
Rot. Bonds4

About 2,5-bis(5-nitrothiophen-2-yl)thiophene

2,5-bis(5-nitrothiophen-2-yl)thiophene (PubChem CID 11046018) has the molecular formula C12H6N2O4S3 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2,5-bis(5-nitrothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(5-nitrothiophen-2-yl)thiophene
PubChem CID11046018
Molecular FormulaC12H6N2O4S3
Molecular Weight338.39 g/mol
Exact Mass337.95
IUPAC Name2,5-bis(5-nitrothiophen-2-yl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])s3)s2)s1
InChIInChI=1S/C12H6N2O4S3/c15-13(16)11-5-3-9(20-11)7-1-2-8(19-7)10-4-6-12(21-10)14(17)18/h1-6H
InChIKeyGQQAPZPPPKHDNG-UHFFFAOYSA-N
XLogP5.02
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylsulfanylphenyl)-5-nitrothiophene
CID 170871521
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
CID 10615473
2-[2-(5-nitrothiophen-2-yl)phenyl]ethanol
CID 19069460
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
5-(5-nitrothiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 102142270
3-[2-[2,5-bis(5-nitrothiophen-2-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 89484041
3-(5-nitrothiophen-2-yl)pyridin-2-amine
CID 96607519
N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
CID 1379405
N-(4-bromophenyl)-5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-amine
CID 10667644
2-(methylideneamino)-5-(5-nitrothiophen-2-yl)thiophene-3,4-dicarboxylic acid
CID 175528457
4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11417084
4-amino-2-(5-nitrothiophen-2-yl)naphthalen-1-ol
CID 70020164

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-nitrothiophen-2-yl)thiophene?
The IUPAC name of 2,5-bis(5-nitrothiophen-2-yl)thiophene (CID 11046018) is 2,5-bis(5-nitrothiophen-2-yl)thiophene.
What is the SMILES notation for 2,5-bis(5-nitrothiophen-2-yl)thiophene?
The canonical SMILES for 2,5-bis(5-nitrothiophen-2-yl)thiophene is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])s3)s2)s1.
What is the InChIKey of 2,5-bis(5-nitrothiophen-2-yl)thiophene?
The InChIKey is GQQAPZPPPKHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O4S3/c15-13(16)11-5-3-9(20-11)7-1-2-8(19-7)10-4-6-12(21-10)14(17)18/h1-6H.
What are the key properties of 2,5-bis(5-nitrothiophen-2-yl)thiophene?
2,5-bis(5-nitrothiophen-2-yl)thiophene has a molecular weight of 338.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-nitrothiophen-2-yl)thiophene is sourced from PubChem (CID 11046018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).