acetylene;ethane;2-ethyl-5-methylthiophene

C11H18S — CID 143080420

IUPACacetylene;ethane;2-ethyl-5-methylthiophene
SMILESC#C.CC.CCc1ccc(C)s1
InChIInChI=1S/C7H10S.C2H6.C2H2/c1-3-7-5-4-6(2)8-7;2*1-2/h4-5H,3H2,1-2H3;1-2H3;1-2H
InChIKeySDZLDFRSNJZNRI-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.89
Rot. Bonds1

About acetylene;ethane;2-ethyl-5-methylthiophene

acetylene;ethane;2-ethyl-5-methylthiophene (PubChem CID 143080420) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is acetylene;ethane;2-ethyl-5-methylthiophene.

Molecular Properties

Compound Nameacetylene;ethane;2-ethyl-5-methylthiophene
PubChem CID143080420
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Nameacetylene;ethane;2-ethyl-5-methylthiophene
SMILESC#C.CC.CCc1ccc(C)s1
InChIInChI=1S/C7H10S.C2H6.C2H2/c1-3-7-5-4-6(2)8-7;2*1-2/h4-5H,3H2,1-2H3;1-2H3;1-2H
InChIKeySDZLDFRSNJZNRI-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetylene;ethane;2-ethyl-5-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;2-ethyl-5-methylthiophene?
The IUPAC name of acetylene;ethane;2-ethyl-5-methylthiophene (CID 143080420) is acetylene;ethane;2-ethyl-5-methylthiophene.
What is the SMILES notation for acetylene;ethane;2-ethyl-5-methylthiophene?
The canonical SMILES for acetylene;ethane;2-ethyl-5-methylthiophene is C#C.CC.CCc1ccc(C)s1.
What is the InChIKey of acetylene;ethane;2-ethyl-5-methylthiophene?
The InChIKey is SDZLDFRSNJZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.C2H6.C2H2/c1-3-7-5-4-6(2)8-7;2*1-2/h4-5H,3H2,1-2H3;1-2H3;1-2H.
What are the key properties of acetylene;ethane;2-ethyl-5-methylthiophene?
acetylene;ethane;2-ethyl-5-methylthiophene has a molecular weight of 182.33 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;2-ethyl-5-methylthiophene is sourced from PubChem (CID 143080420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).