3-nitro-2-thiophen-2-ylthiophene

C8H5NO2S2 — CID 12515491

IUPAC3-nitro-2-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1ccsc1-c1cccs1
InChIInChI=1S/C8H5NO2S2/c10-9(11)6-3-5-13-8(6)7-2-1-4-12-7/h1-5H
InChIKeyAJMGXADPRSLWJX-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.38
Rot. Bonds2

About 3-nitro-2-thiophen-2-ylthiophene

3-nitro-2-thiophen-2-ylthiophene (PubChem CID 12515491) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-nitro-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-nitro-2-thiophen-2-ylthiophene
PubChem CID12515491
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name3-nitro-2-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1ccsc1-c1cccs1
InChIInChI=1S/C8H5NO2S2/c10-9(11)6-3-5-13-8(6)7-2-1-4-12-7/h1-5H
InChIKeyAJMGXADPRSLWJX-UHFFFAOYSA-N
XLogP3.38
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-Nitro-2-thienyl)-5-(2-thienyl)thiophene
CID 454750
3-Nitro-2,6-bis-(2-thienyl)-2h-thiopyran
CID 15518933
5-Nitro-2,2'-bithiophene
CID 12515477
Aminobithienyl
CID 12765253
3-Nitro-2-phenylthiophene
CID 18925396
5-(Methylthio)-5'-nitro-2,2'-bithiophene
CID 10355118
3'-Nitro-5-methyl-2,2'-bithiophene
CID 12515486
5'-Nitro-5-methyl-2,2'-bithiophene
CID 12515487
2-Heptyl-3-nitrothiophene
CID 46210757
4-Nitro-2-(phenylsulfanyl)thiophene
CID 71354541
Dithiophen-2-ylmethyl-(4-nitrophenyl)diazene
CID 90915578
Bis-(5-nitro-2-thienyl)methane
CID 129809557

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-thiophen-2-ylthiophene?
The IUPAC name of 3-nitro-2-thiophen-2-ylthiophene (CID 12515491) is 3-nitro-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-nitro-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-nitro-2-thiophen-2-ylthiophene is O=[N+]([O-])c1ccsc1-c1cccs1.
What is the InChIKey of 3-nitro-2-thiophen-2-ylthiophene?
The InChIKey is AJMGXADPRSLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-9(11)6-3-5-13-8(6)7-2-1-4-12-7/h1-5H.
What are the key properties of 3-nitro-2-thiophen-2-ylthiophene?
3-nitro-2-thiophen-2-ylthiophene has a molecular weight of 211.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-thiophen-2-ylthiophene is sourced from PubChem (CID 12515491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).