2-phenylselanylthiophene

C10H8SSe — CID 11413749

IUPAC2-phenylselanylthiophene
SMILESc1ccc([Se]c2cccs2)cc1
InChIInChI=1S/C10H8SSe/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
InChIKeyHHARTYVKDDDTID-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.40
Rot. Bonds2

About 2-phenylselanylthiophene

2-phenylselanylthiophene (PubChem CID 11413749) has the molecular formula C10H8SSe and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-phenylselanylthiophene.

Molecular Properties

Compound Name2-phenylselanylthiophene
PubChem CID11413749
Molecular FormulaC10H8SSe
Molecular Weight239.20 g/mol
Exact Mass239.95
IUPAC Name2-phenylselanylthiophene
SMILESc1ccc([Se]c2cccs2)cc1
InChIInChI=1S/C10H8SSe/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
InChIKeyHHARTYVKDDDTID-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Pentylthiophene
CID 20995
2-Methylthiophene
CID 11126
2-Ethylthiophene
CID 13388
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Octylthiophene
CID 70153
2-Propylthiophene
CID 73771
2-Vinylthiophene
CID 519642
2,2'-Bithiophene
CID 68120
2-Phenylthiophene
CID 69999
1-(2-Thienyl)ethanethiol
CID 2724626

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylthiophene?
The IUPAC name of 2-phenylselanylthiophene (CID 11413749) is 2-phenylselanylthiophene.
What is the SMILES notation for 2-phenylselanylthiophene?
The canonical SMILES for 2-phenylselanylthiophene is c1ccc([Se]c2cccs2)cc1.
What is the InChIKey of 2-phenylselanylthiophene?
The InChIKey is HHARTYVKDDDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8SSe/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H.
What are the key properties of 2-phenylselanylthiophene?
2-phenylselanylthiophene has a molecular weight of 239.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylthiophene is sourced from PubChem (CID 11413749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).