4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol

C16H12OS2 — CID 24819354

IUPAC4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol
SMILESOCCC#Cc1c(-c2ccsc2)sc2ccccc12
InChIInChI=1S/C16H12OS2/c17-9-4-3-6-14-13-5-1-2-7-15(13)19-16(14)12-8-10-18-11-12/h1-2,5,7-8,10-11,17H,4,9H2
InChIKeyKFOANJTVUVZFJH-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.36
Rot. Bonds2

About 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol

4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol (PubChem CID 24819354) has the molecular formula C16H12OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol
PubChem CID24819354
Molecular FormulaC16H12OS2
Molecular Weight284.41 g/mol
Exact Mass284.03
IUPAC Name4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol
SMILESOCCC#Cc1c(-c2ccsc2)sc2ccccc12
InChIInChI=1S/C16H12OS2/c17-9-4-3-6-14-13-5-1-2-7-15(13)19-16(14)12-8-10-18-11-12/h1-2,5,7-8,10-11,17H,4,9H2
InChIKeyKFOANJTVUVZFJH-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(3-Thienyl)benzothiophen-3-yl]hex-5-yn-1-ol
CID 24792638
Isupsl-cho-4-344C
CID 25058322
4-[2-(4-Methylsulfonylphenyl)-1-benzothiophen-3-yl]but-3-yn-1-ol
CID 44202224
3-[3-[3-(2,3,4,5,6-Pentafluorophenyl)sulfinylprop-1-ynyl]-1-benzothiophen-2-yl]prop-2-yn-1-ol
CID 145978816
3-(2-Phenyl-1-benzothiophen-3-yl)prop-2-yn-1-ol
CID 44245182
3-(Thiophen-3-yl)benzo[b]thiophene
CID 12118153
2-(Thiophen-2-yl)-1-benzothiophene
CID 15181184
2-(Benzo[b]thiophen-3-yl)ethanol
CID 15852206
2-Thiophen-3-yl-1-benzothiophene
CID 54222935
Isupsl-cho-4-344B
CID 25058318
(Z)-3-(1-benzothiophen-3-yl)-3-fluoroprop-2-en-1-ol
CID 177852316
3-(1-Benzothiophen-3-ylmethylsulfanylmethyl)-1-benzothiophene
CID 2732498

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol?
The IUPAC name of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol (CID 24819354) is 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol is OCCC#Cc1c(-c2ccsc2)sc2ccccc12.
What is the InChIKey of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol?
The InChIKey is KFOANJTVUVZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS2/c17-9-4-3-6-14-13-5-1-2-7-15(13)19-16(14)12-8-10-18-11-12/h1-2,5,7-8,10-11,17H,4,9H2.
What are the key properties of 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol?
4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol has a molecular weight of 284.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-yl-1-benzothiophen-3-yl)but-3-yn-1-ol is sourced from PubChem (CID 24819354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).