5-prop-1-ynylthieno[3,2-b]thiophene

C9H6S2 — CID 135040771

IUPAC5-prop-1-ynylthieno[3,2-b]thiophene
SMILESCC#Cc1cc2sccc2s1
InChIInChI=1S/C9H6S2/c1-2-3-7-6-9-8(11-7)4-5-10-9/h4-6H,1H3
InChIKeyZCZIHEFJMRSJMU-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.33
Rot. Bonds

About 5-prop-1-ynylthieno[3,2-b]thiophene

5-prop-1-ynylthieno[3,2-b]thiophene (PubChem CID 135040771) has the molecular formula C9H6S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-prop-1-ynylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-prop-1-ynylthieno[3,2-b]thiophene
PubChem CID135040771
Molecular FormulaC9H6S2
Molecular Weight178.28 g/mol
Exact Mass177.99
IUPAC Name5-prop-1-ynylthieno[3,2-b]thiophene
SMILESCC#Cc1cc2sccc2s1
InChIInChI=1S/C9H6S2/c1-2-3-7-6-9-8(11-7)4-5-10-9/h4-6H,1H3
InChIKeyZCZIHEFJMRSJMU-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methylthieno[3,2-b]thiophene
CID 91311898
7-methyl-2-prop-1-ynyl-[1]benzothiolo[5,4-e][1]benzothiole
CID 146751468
thieno[3,2-b]thiophen-5-ylstannane
CID 149433263
thieno[3,2-e][1]benzothiole-2-carbonitrile
CID 102479264
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 105005930
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
hydron;thieno[3,2-b]thiophene
CID 174437334
2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine
CID 80744863
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-ynylthieno[3,2-b]thiophene?
The IUPAC name of 5-prop-1-ynylthieno[3,2-b]thiophene (CID 135040771) is 5-prop-1-ynylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-prop-1-ynylthieno[3,2-b]thiophene?
The canonical SMILES for 5-prop-1-ynylthieno[3,2-b]thiophene is CC#Cc1cc2sccc2s1.
What is the InChIKey of 5-prop-1-ynylthieno[3,2-b]thiophene?
The InChIKey is ZCZIHEFJMRSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6S2/c1-2-3-7-6-9-8(11-7)4-5-10-9/h4-6H,1H3.
What are the key properties of 5-prop-1-ynylthieno[3,2-b]thiophene?
5-prop-1-ynylthieno[3,2-b]thiophene has a molecular weight of 178.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-ynylthieno[3,2-b]thiophene is sourced from PubChem (CID 135040771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).