2-[dichloro(thiophen-2-yl)methyl]thiophene

C9H6Cl2S2 — CID 12792431

IUPAC2-[dichloro(thiophen-2-yl)methyl]thiophene
SMILESClC(Cl)(c1cccs1)c1cccs1
InChIInChI=1S/C9H6Cl2S2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H
InChIKeyNMGKRNAQRJSHFU-UHFFFAOYSA-N
MW249.19 g/mol
LogP4.49
Rot. Bonds2

About 2-[dichloro(thiophen-2-yl)methyl]thiophene

2-[dichloro(thiophen-2-yl)methyl]thiophene (PubChem CID 12792431) has the molecular formula C9H6Cl2S2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[dichloro(thiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-[dichloro(thiophen-2-yl)methyl]thiophene
PubChem CID12792431
Molecular FormulaC9H6Cl2S2
Molecular Weight249.19 g/mol
Exact Mass247.93
IUPAC Name2-[dichloro(thiophen-2-yl)methyl]thiophene
SMILESClC(Cl)(c1cccs1)c1cccs1
InChIInChI=1S/C9H6Cl2S2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H
InChIKeyNMGKRNAQRJSHFU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(thiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-[dichloro(thiophen-2-yl)methyl]thiophene (CID 12792431) is 2-[dichloro(thiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-[dichloro(thiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-[dichloro(thiophen-2-yl)methyl]thiophene is ClC(Cl)(c1cccs1)c1cccs1.
What is the InChIKey of 2-[dichloro(thiophen-2-yl)methyl]thiophene?
The InChIKey is NMGKRNAQRJSHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2S2/c10-9(11,7-3-1-5-12-7)8-4-2-6-13-8/h1-6H.
What are the key properties of 2-[dichloro(thiophen-2-yl)methyl]thiophene?
2-[dichloro(thiophen-2-yl)methyl]thiophene has a molecular weight of 249.19 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(thiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 12792431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).