ethane;methyl 2,5-dimethylthiophene-3-carboxylate

C10H16O2S — CID 143851717

IUPACethane;methyl 2,5-dimethylthiophene-3-carboxylate
SMILESCC.COC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3
InChIKeyYARHFFBQZRPULE-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.18
Rot. Bonds1

About ethane;methyl 2,5-dimethylthiophene-3-carboxylate

ethane;methyl 2,5-dimethylthiophene-3-carboxylate (PubChem CID 143851717) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethane;methyl 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2,5-dimethylthiophene-3-carboxylate
PubChem CID143851717
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethane;methyl 2,5-dimethylthiophene-3-carboxylate
SMILESCC.COC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3
InChIKeyYARHFFBQZRPULE-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;methyl 2,5-dimethylthiophene-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-isothiocyanato-5-methylthiophene-3-carboxylate
CID 4505712
methyl 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 17024350
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2-methylsulfanylethyl 2,5-dimethylthiophene-3-carboxylate
CID 78832371
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
CID 9075082
dimethyl 2-[bis(2,5-dimethylthiophen-3-yl)methylidene]butanedioate
CID 10785925
dimethyl 2,5-bis(5-methylthiophen-2-yl)benzene-1,4-dicarboxylate
CID 58224320
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
4-[(3-methoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoate
CID 7454892
methyl 5-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55618908
(1R,6S)-6-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27519054
9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
CID 7648640

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethane;methyl 2,5-dimethylthiophene-3-carboxylate (CID 143851717) is ethane;methyl 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethane;methyl 2,5-dimethylthiophene-3-carboxylate is CC.COC(=O)c1cc(C)sc1C.
What is the InChIKey of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is YARHFFBQZRPULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
ethane;methyl 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 143851717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).