ethyl thiophene-2-carboxylate;2-phenylthiophene

C17H16O2S2 — CID 173392308

IUPACethyl thiophene-2-carboxylate;2-phenylthiophene
SMILESCCOC(=O)c1cccs1.c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H8S.C7H8O2S/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9-7(8)6-4-3-5-10-6/h1-8H;3-5H,2H2,1H3
InChIKeyNSZULBDWDOWQRA-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.34
Rot. Bonds3

About ethyl thiophene-2-carboxylate;2-phenylthiophene

ethyl thiophene-2-carboxylate;2-phenylthiophene (PubChem CID 173392308) has the molecular formula C17H16O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is ethyl thiophene-2-carboxylate;2-phenylthiophene.

Molecular Properties

Compound Nameethyl thiophene-2-carboxylate;2-phenylthiophene
PubChem CID173392308
Molecular FormulaC17H16O2S2
Molecular Weight316.45 g/mol
Exact Mass316.06
IUPAC Nameethyl thiophene-2-carboxylate;2-phenylthiophene
SMILESCCOC(=O)c1cccs1.c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H8S.C7H8O2S/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9-7(8)6-4-3-5-10-6/h1-8H;3-5H,2H2,1H3
InChIKeyNSZULBDWDOWQRA-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-amino-3-(4-thiophen-2-ylphenyl)propanoate;hydrochloride
CID 174360592
aminomethyl thiophene-2-carboxylate
CID 142796710
ethyl (3S)-3-amino-3-(3-thiophen-2-ylphenyl)propanoate
CID 140935860
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
heptyl thiophene-2-carboxylate
CID 574115
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 4-(1-thiophen-2-ylprop-1-enyl)benzoate
CID 90711977
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476

Frequently Asked Questions

What is the IUPAC name of ethyl thiophene-2-carboxylate;2-phenylthiophene?
The IUPAC name of ethyl thiophene-2-carboxylate;2-phenylthiophene (CID 173392308) is ethyl thiophene-2-carboxylate;2-phenylthiophene.
What is the SMILES notation for ethyl thiophene-2-carboxylate;2-phenylthiophene?
The canonical SMILES for ethyl thiophene-2-carboxylate;2-phenylthiophene is CCOC(=O)c1cccs1.c1ccc(-c2cccs2)cc1.
What is the InChIKey of ethyl thiophene-2-carboxylate;2-phenylthiophene?
The InChIKey is NSZULBDWDOWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S.C7H8O2S/c1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9-7(8)6-4-3-5-10-6/h1-8H;3-5H,2H2,1H3.
What are the key properties of ethyl thiophene-2-carboxylate;2-phenylthiophene?
ethyl thiophene-2-carboxylate;2-phenylthiophene has a molecular weight of 316.45 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thiophene-2-carboxylate;2-phenylthiophene is sourced from PubChem (CID 173392308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).