ethane;methyl 4-ethylthiophene-2-carboxylate

C10H16O2S — CID 143588427

IUPACethane;methyl 4-ethylthiophene-2-carboxylate
SMILESCC.CCc1csc(C(=O)OC)c1
InChIInChI=1S/C8H10O2S.C2H6/c1-3-6-4-7(11-5-6)8(9)10-2;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyHFMGNPXJKDVWMU-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.12
Rot. Bonds2

About ethane;methyl 4-ethylthiophene-2-carboxylate

ethane;methyl 4-ethylthiophene-2-carboxylate (PubChem CID 143588427) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethane;methyl 4-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-ethylthiophene-2-carboxylate
PubChem CID143588427
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethane;methyl 4-ethylthiophene-2-carboxylate
SMILESCC.CCc1csc(C(=O)OC)c1
InChIInChI=1S/C8H10O2S.C2H6/c1-3-6-4-7(11-5-6)8(9)10-2;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyHFMGNPXJKDVWMU-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylthiophene-2-carbonyl chloride
CID 130405641
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
methyl 4-(3-ethylphenyl)thiophene-2-carboxylate
CID 174626867
ethyl 4-(bromomethyl)thiophene-2-carboxylate
CID 18789514
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
CID 167967974
methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
CID 118135551
4-[(methoxycarbonylamino)methyl]thiophene-2-carboxylic acid
CID 84680930
5-methoxycarbonylthiophene-3-diazonium
CID 15533896
methyl 5,6,7-trichlorocyclopenta[c]thiopyran-3-carboxylate
CID 13162960
methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate
CID 166357842
bis(4-propylthiophen-2-yl)methanone
CID 67902455

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-ethylthiophene-2-carboxylate?
The IUPAC name of ethane;methyl 4-ethylthiophene-2-carboxylate (CID 143588427) is ethane;methyl 4-ethylthiophene-2-carboxylate.
What is the SMILES notation for ethane;methyl 4-ethylthiophene-2-carboxylate?
The canonical SMILES for ethane;methyl 4-ethylthiophene-2-carboxylate is CC.CCc1csc(C(=O)OC)c1.
What is the InChIKey of ethane;methyl 4-ethylthiophene-2-carboxylate?
The InChIKey is HFMGNPXJKDVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C2H6/c1-3-6-4-7(11-5-6)8(9)10-2;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-ethylthiophene-2-carboxylate?
ethane;methyl 4-ethylthiophene-2-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-ethylthiophene-2-carboxylate is sourced from PubChem (CID 143588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).