2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene

C16H12S4 — CID 10759013

IUPAC2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene
SMILESC(\Sc1cccs1)=C(\Sc1cccs1)c1ccccc1
InChIInChI=1S/C16H12S4/c1-2-6-13(7-3-1)14(20-16-9-5-11-18-16)12-19-15-8-4-10-17-15/h1-12H/b14-12-
InChIKeyYBRFCBBBDAZKDD-OWBHPGMISA-N
MW332.54 g/mol
LogP6.69
Rot. Bonds5

About 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene

2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene (PubChem CID 10759013) has the molecular formula C16H12S4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene.

Molecular Properties

Compound Name2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene
PubChem CID10759013
Molecular FormulaC16H12S4
Molecular Weight332.54 g/mol
Exact Mass331.98
IUPAC Name2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene
SMILESC(\Sc1cccs1)=C(\Sc1cccs1)c1ccccc1
InChIInChI=1S/C16H12S4/c1-2-6-13(7-3-1)14(20-16-9-5-11-18-16)12-19-15-8-4-10-17-15/h1-12H/b14-12-
InChIKeyYBRFCBBBDAZKDD-OWBHPGMISA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene?
The IUPAC name of 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene (CID 10759013) is 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene.
What is the SMILES notation for 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene?
The canonical SMILES for 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene is C(\Sc1cccs1)=C(\Sc1cccs1)c1ccccc1.
What is the InChIKey of 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene?
The InChIKey is YBRFCBBBDAZKDD-OWBHPGMISA-N. The full InChI is InChI=1S/C16H12S4/c1-2-6-13(7-3-1)14(20-16-9-5-11-18-16)12-19-15-8-4-10-17-15/h1-12H/b14-12-.
What are the key properties of 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene?
2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene has a molecular weight of 332.54 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-phenyl-2-thiophen-2-ylsulfanylethenyl]sulfanylthiophene is sourced from PubChem (CID 10759013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).