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

C6H4ClNO2S — CID 14971167

IUPAC2-[(Z)-2-chloro-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C(Cl)=C/c1cccs1
InChIInChI=1S/C6H4ClNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyNGAHGVRVELLMSY-GQCTYLIASA-N
MW189.62 g/mol
LogP2.56
Rot. Bonds2

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

2-[(Z)-2-chloro-2-nitroethenyl]thiophene (PubChem CID 14971167) has the molecular formula C6H4ClNO2S and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-[(Z)-2-chloro-2-nitroethenyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-chloro-2-nitroethenyl]thiophene
PubChem CID14971167
Molecular FormulaC6H4ClNO2S
Molecular Weight189.62 g/mol
Exact Mass188.97
IUPAC Name2-[(Z)-2-chloro-2-nitroethenyl]thiophene
SMILESO=[N+]([O-])/C(Cl)=C/c1cccs1
InChIInChI=1S/C6H4ClNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H/b6-4+
InChIKeyNGAHGVRVELLMSY-GQCTYLIASA-N
XLogP2.56
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.56
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'}

Analyze 2-[(Z)-2-chloro-2-nitroethenyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene, 2-(2-nitroethenyl)-
CID 687329
2-(2-Nitroprop-1-en-1-yl)thiophene
CID 1550853
2-(2-Nitro-vinyl)-thiophene
CID 95586
2-(2-Nitro-1-propen-1-yl)thiophene
CID 238234
Thiophene, 2-(2-nitro-1-propenyl)-, (Z)-
CID 708806
2-[(Z)-2-nitroethenyl]thiophene
CID 1712459
Thiophene, 2-(2-nitroethyl)-
CID 11105610
2-[(Z)-2-fluoro-2-nitroethenyl]thiophene
CID 134863017
3-Methyl-2-(2-nitrovinyl)thiophene
CID 54505395
2-[(Z)-2-bromo-2-nitroethenyl]thiophene
CID 13255487
Thienylnitroethylene
CID 23057404
2-[(E)-1-nitroprop-1-en-2-yl]thiophene
CID 67237190

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-chloro-2-nitroethenyl]thiophene?
The IUPAC name of 2-[(Z)-2-chloro-2-nitroethenyl]thiophene (CID 14971167) is 2-[(Z)-2-chloro-2-nitroethenyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-chloro-2-nitroethenyl]thiophene?
The canonical SMILES for 2-[(Z)-2-chloro-2-nitroethenyl]thiophene is O=[N+]([O-])/C(Cl)=C/c1cccs1.
What is the InChIKey of 2-[(Z)-2-chloro-2-nitroethenyl]thiophene?
The InChIKey is NGAHGVRVELLMSY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H4ClNO2S/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-chloro-2-nitroethenyl]thiophene?
2-[(Z)-2-chloro-2-nitroethenyl]thiophene has a molecular weight of 189.62 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-chloro-2-nitroethenyl]thiophene is sourced from PubChem (CID 14971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).