2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene

C11H8Cl2S2 — CID 2819600

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene
SMILESClc1cccc(Cl)c1CSc1cccs1
InChIInChI=1S/C11H8Cl2S2/c12-9-3-1-4-10(13)8(9)7-15-11-5-2-6-14-11/h1-6H,7H2
InChIKeyMQVYBCYHOJDQIW-UHFFFAOYSA-N
MW275.23 g/mol
LogP5.35
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene

2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene (PubChem CID 2819600) has the molecular formula C11H8Cl2S2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene
PubChem CID2819600
Molecular FormulaC11H8Cl2S2
Molecular Weight275.23 g/mol
Exact Mass273.94
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene
SMILESClc1cccc(Cl)c1CSc1cccs1
InChIInChI=1S/C11H8Cl2S2/c12-9-3-1-4-10(13)8(9)7-15-11-5-2-6-14-11/h1-6H,7H2
InChIKeyMQVYBCYHOJDQIW-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.23
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene (CID 2819600) is 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene is Clc1cccc(Cl)c1CSc1cccs1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene?
The InChIKey is MQVYBCYHOJDQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2S2/c12-9-3-1-4-10(13)8(9)7-15-11-5-2-6-14-11/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene?
2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene has a molecular weight of 275.23 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]thiophene is sourced from PubChem (CID 2819600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).