2-ethylsulfanyl-4-phenylthiophene

C12H12S2 — CID 23254574

IUPAC2-ethylsulfanyl-4-phenylthiophene
SMILESCCSc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12S2/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJPLBWYZZMYRHIP-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.53
Rot. Bonds3

About 2-ethylsulfanyl-4-phenylthiophene

2-ethylsulfanyl-4-phenylthiophene (PubChem CID 23254574) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-phenylthiophene.

Molecular Properties

Compound Name2-ethylsulfanyl-4-phenylthiophene
PubChem CID23254574
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name2-ethylsulfanyl-4-phenylthiophene
SMILESCCSc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12S2/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJPLBWYZZMYRHIP-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-phenylthiophene?
The IUPAC name of 2-ethylsulfanyl-4-phenylthiophene (CID 23254574) is 2-ethylsulfanyl-4-phenylthiophene.
What is the SMILES notation for 2-ethylsulfanyl-4-phenylthiophene?
The canonical SMILES for 2-ethylsulfanyl-4-phenylthiophene is CCSc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-ethylsulfanyl-4-phenylthiophene?
The InChIKey is JPLBWYZZMYRHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S2/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-phenylthiophene?
2-ethylsulfanyl-4-phenylthiophene has a molecular weight of 220.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-phenylthiophene is sourced from PubChem (CID 23254574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).