2-[(E)-2-phenylsulfanylethenyl]thiophene

C12H10S2 — CID 11622639

IUPAC2-[(E)-2-phenylsulfanylethenyl]thiophene
SMILESC(=C/c1cccs1)\Sc1ccccc1
InChIInChI=1S/C12H10S2/c1-2-5-11(6-3-1)14-10-8-12-7-4-9-13-12/h1-10H/b10-8+
InChIKeyDDYCSNYUADIVOA-CSKARUKUSA-N
MW218.35 g/mol
LogP4.51
Rot. Bonds3

About 2-[(E)-2-phenylsulfanylethenyl]thiophene

2-[(E)-2-phenylsulfanylethenyl]thiophene (PubChem CID 11622639) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-[(E)-2-phenylsulfanylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-phenylsulfanylethenyl]thiophene
PubChem CID11622639
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name2-[(E)-2-phenylsulfanylethenyl]thiophene
SMILESC(=C/c1cccs1)\Sc1ccccc1
InChIInChI=1S/C12H10S2/c1-2-5-11(6-3-1)14-10-8-12-7-4-9-13-12/h1-10H/b10-8+
InChIKeyDDYCSNYUADIVOA-CSKARUKUSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylsulfanylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-phenylsulfanylethenyl]thiophene (CID 11622639) is 2-[(E)-2-phenylsulfanylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-phenylsulfanylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-phenylsulfanylethenyl]thiophene is C(=C/c1cccs1)\Sc1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylsulfanylethenyl]thiophene?
The InChIKey is DDYCSNYUADIVOA-CSKARUKUSA-N. The full InChI is InChI=1S/C12H10S2/c1-2-5-11(6-3-1)14-10-8-12-7-4-9-13-12/h1-10H/b10-8+.
What are the key properties of 2-[(E)-2-phenylsulfanylethenyl]thiophene?
2-[(E)-2-phenylsulfanylethenyl]thiophene has a molecular weight of 218.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylsulfanylethenyl]thiophene is sourced from PubChem (CID 11622639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).