2-ethyl-5-methylthiophene;formic acid

C8H12O2S — CID 143679762

IUPAC2-ethyl-5-methylthiophene;formic acid
SMILESCCc1ccc(C)s1.O=CO
InChIInChI=1S/C7H10S.CH2O2/c1-3-7-5-4-6(2)8-7;2-1-3/h4-5H,3H2,1-2H3;1H,(H,2,3)
InChIKeyDXZRRKXFKWHWEX-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.32
Rot. Bonds1

About 2-ethyl-5-methylthiophene;formic acid

2-ethyl-5-methylthiophene;formic acid (PubChem CID 143679762) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-ethyl-5-methylthiophene;formic acid.

Molecular Properties

Compound Name2-ethyl-5-methylthiophene;formic acid
PubChem CID143679762
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-ethyl-5-methylthiophene;formic acid
SMILESCCc1ccc(C)s1.O=CO
InChIInChI=1S/C7H10S.CH2O2/c1-3-7-5-4-6(2)8-7;2-1-3/h4-5H,3H2,1-2H3;1H,(H,2,3)
InChIKeyDXZRRKXFKWHWEX-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;2-ethyl-5-methylthiophene
CID 143080420
2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769
2,5-diethylthiophene
CID 521294
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol
CID 142100963
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 3-[(5-methylthiophen-2-yl)methylamino]propanoate
CID 43139690
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-en-1-amine
CID 103817594
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
methyl 4-[(5-methylthiophen-2-yl)methylamino]butanoate
CID 60782313

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylthiophene;formic acid?
The IUPAC name of 2-ethyl-5-methylthiophene;formic acid (CID 143679762) is 2-ethyl-5-methylthiophene;formic acid.
What is the SMILES notation for 2-ethyl-5-methylthiophene;formic acid?
The canonical SMILES for 2-ethyl-5-methylthiophene;formic acid is CCc1ccc(C)s1.O=CO.
What is the InChIKey of 2-ethyl-5-methylthiophene;formic acid?
The InChIKey is DXZRRKXFKWHWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.CH2O2/c1-3-7-5-4-6(2)8-7;2-1-3/h4-5H,3H2,1-2H3;1H,(H,2,3).
What are the key properties of 2-ethyl-5-methylthiophene;formic acid?
2-ethyl-5-methylthiophene;formic acid has a molecular weight of 172.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylthiophene;formic acid is sourced from PubChem (CID 143679762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).