2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene

C12H14S3 — CID 67807671

IUPAC2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene
SMILESC1=CC(C2C=CSC2C2CC=CS2)SC1
InChIInChI=1S/C12H14S3/c1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h1-3,5,7-12H,4,6H2
InChIKeyKWJZPUHHUOFDNS-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.92
Rot. Bonds2

About 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene

2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene (PubChem CID 67807671) has the molecular formula C12H14S3 and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene
PubChem CID67807671
Molecular FormulaC12H14S3
Molecular Weight254.44 g/mol
Exact Mass254.03
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene
SMILESC1=CC(C2C=CSC2C2CC=CS2)SC1
InChIInChI=1S/C12H14S3/c1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h1-3,5,7-12H,4,6H2
InChIKeyKWJZPUHHUOFDNS-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene (CID 67807671) is 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene is C1=CC(C2C=CSC2C2CC=CS2)SC1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene?
The InChIKey is KWJZPUHHUOFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S3/c1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h1-3,5,7-12H,4,6H2.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene?
2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene has a molecular weight of 254.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)-3-(2,5-dihydrothiophen-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 67807671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).