2-methyl-5-(5-nitrothiophen-2-yl)thiophene

C9H7NO2S2 — CID 12515487

IUPAC2-methyl-5-(5-nitrothiophen-2-yl)thiophene
SMILESCc1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C9H7NO2S2/c1-6-2-3-7(13-6)8-4-5-9(14-8)10(11)12/h2-5H,1H3
InChIKeyMOAOLIZWJMQHDP-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.69
Rot. Bonds2

About 2-methyl-5-(5-nitrothiophen-2-yl)thiophene

2-methyl-5-(5-nitrothiophen-2-yl)thiophene (PubChem CID 12515487) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-5-(5-nitrothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-methyl-5-(5-nitrothiophen-2-yl)thiophene
PubChem CID12515487
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-methyl-5-(5-nitrothiophen-2-yl)thiophene
SMILESCc1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C9H7NO2S2/c1-6-2-3-7(13-6)8-4-5-9(14-8)10(11)12/h2-5H,1H3
InChIKeyMOAOLIZWJMQHDP-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-Methyl-5-nitrothiophene
CID 13949280
3,3'-Bithiophene, 2-nitro-
CID 901431
2-(5-Nitro-2-thienyl)-5-(2-thienyl)thiophene
CID 454750
2-Nitrothieno[3,2-b]thiophene
CID 59015268
2-Nitro-5-phenylthiophene
CID 1211758
Thiophene, 2-(1,1-dimethylethyl)-5-nitro-
CID 12231491
5-Nitro-2,2'-bithiophene
CID 12515477
3-Nitro-2,2'-bithiophene
CID 12515491
2-Ethyl-5-nitrothiophene
CID 13742234
5-Dimethylamino-5'-nitro-2,2-bithiophene
CID 15191002
2-nitro-5-[(1E,3E)-1,2,3,4-tetrafluoro-4-thiophen-2-ylbuta-1,3-dienyl]thiophene
CID 102330656
2-(1-Fluoroethenyl)-5-nitrothiophene
CID 156524733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-nitrothiophen-2-yl)thiophene?
The IUPAC name of 2-methyl-5-(5-nitrothiophen-2-yl)thiophene (CID 12515487) is 2-methyl-5-(5-nitrothiophen-2-yl)thiophene.
What is the SMILES notation for 2-methyl-5-(5-nitrothiophen-2-yl)thiophene?
The canonical SMILES for 2-methyl-5-(5-nitrothiophen-2-yl)thiophene is Cc1ccc(-c2ccc([N+](=O)[O-])s2)s1.
What is the InChIKey of 2-methyl-5-(5-nitrothiophen-2-yl)thiophene?
The InChIKey is MOAOLIZWJMQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-6-2-3-7(13-6)8-4-5-9(14-8)10(11)12/h2-5H,1H3.
What are the key properties of 2-methyl-5-(5-nitrothiophen-2-yl)thiophene?
2-methyl-5-(5-nitrothiophen-2-yl)thiophene 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-methyl-5-(5-nitrothiophen-2-yl)thiophene is sourced from PubChem (CID 12515487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).