2-(2-chloro-2-nitrosoethenyl)thiophene

C6H4ClNOS — CID 123259919

IUPAC2-(2-chloro-2-nitrosoethenyl)thiophene
SMILESO=NC(Cl)=Cc1cccs1
InChIInChI=1S/C6H4ClNOS/c7-6(8-9)4-5-2-1-3-10-5/h1-4H
InChIKeyVSLZPQDOMQZWJX-UHFFFAOYSA-N
MW173.62 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-chloro-2-nitrosoethenyl)thiophene

2-(2-chloro-2-nitrosoethenyl)thiophene (PubChem CID 123259919) has the molecular formula C6H4ClNOS and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-(2-chloro-2-nitrosoethenyl)thiophene.

Molecular Properties

Compound Name2-(2-chloro-2-nitrosoethenyl)thiophene
PubChem CID123259919
Molecular FormulaC6H4ClNOS
Molecular Weight173.62 g/mol
Exact Mass172.97
IUPAC Name2-(2-chloro-2-nitrosoethenyl)thiophene
SMILESO=NC(Cl)=Cc1cccs1
InChIInChI=1S/C6H4ClNOS/c7-6(8-9)4-5-2-1-3-10-5/h1-4H
InChIKeyVSLZPQDOMQZWJX-UHFFFAOYSA-N
XLogP3.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
2-[(Z)-2-fluoro-2-nitroethenyl]thiophene
CID 134863017
2-[(Z)-2-bromo-2-nitroethenyl]thiophene
CID 13255487
(2Z)-N-hydroxythiophene-2-carboximidoyl chloride
CID 13600568
2-[(Z)-2-chloro-2-nitroethenyl]thiophene
CID 14971167
2-(2-Fluoro-2-nitroethenyl)thiophene
CID 175581016
2-Chloro-3-(2-thienyl)acrylonitrile
CID 86046028

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-nitrosoethenyl)thiophene?
The IUPAC name of 2-(2-chloro-2-nitrosoethenyl)thiophene (CID 123259919) is 2-(2-chloro-2-nitrosoethenyl)thiophene.
What is the SMILES notation for 2-(2-chloro-2-nitrosoethenyl)thiophene?
The canonical SMILES for 2-(2-chloro-2-nitrosoethenyl)thiophene is O=NC(Cl)=Cc1cccs1.
What is the InChIKey of 2-(2-chloro-2-nitrosoethenyl)thiophene?
The InChIKey is VSLZPQDOMQZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNOS/c7-6(8-9)4-5-2-1-3-10-5/h1-4H.
What are the key properties of 2-(2-chloro-2-nitrosoethenyl)thiophene?
2-(2-chloro-2-nitrosoethenyl)thiophene has a molecular weight of 173.62 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-nitrosoethenyl)thiophene is sourced from PubChem (CID 123259919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).