2-(5-methylthiophen-2-yl)-3-nitrothiophene

C9H7NO2S2 — CID 12515486

IUPAC2-(5-methylthiophen-2-yl)-3-nitrothiophene
SMILESCc1ccc(-c2sccc2[N+](=O)[O-])s1
InChIInChI=1S/C9H7NO2S2/c1-6-2-3-8(14-6)9-7(10(11)12)4-5-13-9/h2-5H,1H3
InChIKeyRMKBSJVOAPXAOL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.69
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-3-nitrothiophene

2-(5-methylthiophen-2-yl)-3-nitrothiophene (PubChem CID 12515486) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-nitrothiophene.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-nitrothiophene
PubChem CID12515486
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-(5-methylthiophen-2-yl)-3-nitrothiophene
SMILESCc1ccc(-c2sccc2[N+](=O)[O-])s1
InChIInChI=1S/C9H7NO2S2/c1-6-2-3-8(14-6)9-7(10(11)12)4-5-13-9/h2-5H,1H3
InChIKeyRMKBSJVOAPXAOL-UHFFFAOYSA-N
XLogP3.69
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.69
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
5-Nitro-2,2'-bithiophene
CID 12515477
3-Nitro-2,2'-bithiophene
CID 12515491
Aminobithienyl
CID 12765253
3-Nitro-2-phenylthiophene
CID 18925396
5-(Methylthio)-5'-nitro-2,2'-bithiophene
CID 10355118
5'-Nitro-5-methyl-2,2'-bithiophene
CID 12515487
2-Heptyl-3-nitrothiophene
CID 46210757
4-Nitro-2-(phenylsulfanyl)thiophene
CID 71354541
Bis-(5-nitro-2-thienyl)methane
CID 129809557
3-Nitro-5-(3-nitrothiophen-2-yl)-2-(4-nitrothiophen-2-yl)thiophene
CID 139212119
3-Nitro-2-[2-(2-thienyl)vinyl]thiophene
CID 901479

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-nitrothiophene?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-nitrothiophene (CID 12515486) is 2-(5-methylthiophen-2-yl)-3-nitrothiophene.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-nitrothiophene?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-nitrothiophene is Cc1ccc(-c2sccc2[N+](=O)[O-])s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-nitrothiophene?
The InChIKey is RMKBSJVOAPXAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-6-2-3-8(14-6)9-7(10(11)12)4-5-13-9/h2-5H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-nitrothiophene?
2-(5-methylthiophen-2-yl)-3-nitrothiophene has a molecular weight of 225.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-nitrothiophene is sourced from PubChem (CID 12515486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).