methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate

C8H10O2S2 — CID 165473233

IUPACmethyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CS)c(C)s1
InChIInChI=1S/C8H10O2S2/c1-5-6(4-11)3-7(12-5)8(9)10-2/h3,11H,4H2,1-2H3
InChIKeyRUXCISAKXYJMMU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.27
Rot. Bonds2

About methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate

methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate (PubChem CID 165473233) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
PubChem CID165473233
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Namemethyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CS)c(C)s1
InChIInChI=1S/C8H10O2S2/c1-5-6(4-11)3-7(12-5)8(9)10-2/h3,11H,4H2,1-2H3
InChIKeyRUXCISAKXYJMMU-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-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 4-[(2-chloroacetyl)amino]-5-methylthiophene-2-carboxylate
CID 166431687
4-[(hydroxyamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103282710
methyl 5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]thiophene-2-carboxylate
CID 86789626
methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate
CID 136548243
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847451
methyl 5-methyl-4-[(2-pyrazin-2-ylimidazol-1-yl)methyl]thiophene-2-carboxylate
CID 71855079
methyl 4-anilino-5-methylthiophene-2-carboxylate
CID 18537139
4-(anilinomethyl)-5-methylthiophene-2-carboxylic acid
CID 103230882
4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 80730360
methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 71971727
4-[[(1-methoxy-1-oxobutan-2-yl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114283919
methyl 5-chloro-4-[[(2-chloroacetyl)amino]methyl]thiophene-2-carboxylate
CID 166414711

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate (CID 165473233) is methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate is COC(=O)c1cc(CS)c(C)s1.
What is the InChIKey of methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate?
The InChIKey is RUXCISAKXYJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-5-6(4-11)3-7(12-5)8(9)10-2/h3,11H,4H2,1-2H3.
What are the key properties of methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate?
methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate has a molecular weight of 202.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(sulfanylmethyl)thiophene-2-carboxylate is sourced from PubChem (CID 165473233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).