2-[(Z)-2-bromo-2-nitroethenyl]thiophene

C6H4BrNO2S — CID 13255487

IUPAC2-[(Z)-2-bromo-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C(Br)=C/c1cccs1
InChIInChI=1S/C6H4BrNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyJYGXMCYINDKUJY-GQCTYLIASA-N
MW234.07 g/mol
LogP2.72
Rot. Bonds2

About 2-[(Z)-2-bromo-2-nitroethenyl]thiophene

2-[(Z)-2-bromo-2-nitroethenyl]thiophene (PubChem CID 13255487) has the molecular formula C6H4BrNO2S and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-2-nitroethenyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-bromo-2-nitroethenyl]thiophene
PubChem CID13255487
Molecular FormulaC6H4BrNO2S
Molecular Weight234.07 g/mol
Exact Mass232.91
IUPAC Name2-[(Z)-2-bromo-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C(Br)=C/c1cccs1
InChIInChI=1S/C6H4BrNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyJYGXMCYINDKUJY-GQCTYLIASA-N
XLogP2.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 687329
CID 687329
CID 1550853
CID 1550853
CID 95586
CID 95586
CID 238234
CID 238234
CID 708806
CID 708806
CID 1712459
CID 1712459
CID 2732364
CID 2732364
CID 2731247
CID 2731247
CID 11105610
CID 11105610
CID 134863017
CID 134863017
CID 54505395
CID 54505395
CID 14929132
CID 14929132

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromo-2-nitroethenyl]thiophene?
The IUPAC name of 2-[(Z)-2-bromo-2-nitroethenyl]thiophene (CID 13255487) is 2-[(Z)-2-bromo-2-nitroethenyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-bromo-2-nitroethenyl]thiophene?
The canonical SMILES for 2-[(Z)-2-bromo-2-nitroethenyl]thiophene is O=[N+]([O-])/C(Br)=C/c1cccs1.
What is the InChIKey of 2-[(Z)-2-bromo-2-nitroethenyl]thiophene?
The InChIKey is JYGXMCYINDKUJY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H4BrNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+.
What are the key properties of 2-[(Z)-2-bromo-2-nitroethenyl]thiophene?
2-[(Z)-2-bromo-2-nitroethenyl]thiophene has a molecular weight of 234.07 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-2-nitroethenyl]thiophene is sourced from PubChem (CID 13255487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).