but-1-yne;thiophene

C8H10S — CID 157338578

IUPACbut-1-yne;thiophene
SMILESC#CCC.c1ccsc1
InChIInChI=1S/C4H4S.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H;1H,4H2,2H3
InChIKeyBGDACKQOWRPJOG-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.78
Rot. Bonds

About but-1-yne;thiophene

but-1-yne;thiophene (PubChem CID 157338578) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is but-1-yne;thiophene.

Molecular Properties

Compound Namebut-1-yne;thiophene
PubChem CID157338578
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Namebut-1-yne;thiophene
SMILESC#CCC.c1ccsc1
InChIInChI=1S/C4H4S.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H;1H,4H2,2H3
InChIKeyBGDACKQOWRPJOG-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-yne;thiophene?
The IUPAC name of but-1-yne;thiophene (CID 157338578) is but-1-yne;thiophene.
What is the SMILES notation for but-1-yne;thiophene?
The canonical SMILES for but-1-yne;thiophene is C#CCC.c1ccsc1.
What is the InChIKey of but-1-yne;thiophene?
The InChIKey is BGDACKQOWRPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H;1H,4H2,2H3.
What are the key properties of but-1-yne;thiophene?
but-1-yne;thiophene has a molecular weight of 138.23 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;thiophene is sourced from PubChem (CID 157338578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).