3-phenylsulfanylthiophene

C10H8S2 — CID 2778902

IUPAC3-phenylsulfanylthiophene
SMILESc1ccc(Sc2ccsc2)cc1
InChIInChI=1S/C10H8S2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-8H
InChIKeyWQYNBKIZHCGYCV-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.90
Rot. Bonds2

About 3-phenylsulfanylthiophene

3-phenylsulfanylthiophene (PubChem CID 2778902) has the molecular formula C10H8S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-phenylsulfanylthiophene.

Molecular Properties

Compound Name3-phenylsulfanylthiophene
PubChem CID2778902
Molecular FormulaC10H8S2
Molecular Weight192.31 g/mol
Exact Mass192.01
IUPAC Name3-phenylsulfanylthiophene
SMILESc1ccc(Sc2ccsc2)cc1
InChIInChI=1S/C10H8S2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-8H
InChIKeyWQYNBKIZHCGYCV-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylthiophene?
The IUPAC name of 3-phenylsulfanylthiophene (CID 2778902) is 3-phenylsulfanylthiophene.
What is the SMILES notation for 3-phenylsulfanylthiophene?
The canonical SMILES for 3-phenylsulfanylthiophene is c1ccc(Sc2ccsc2)cc1.
What is the InChIKey of 3-phenylsulfanylthiophene?
The InChIKey is WQYNBKIZHCGYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-8H.
What are the key properties of 3-phenylsulfanylthiophene?
3-phenylsulfanylthiophene has a molecular weight of 192.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylthiophene is sourced from PubChem (CID 2778902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).