5-methoxycarbonylthiophene-2-carboxylic acid

C7H6O4S — CID 818352

IUPAC5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyHYHZGBOWRWIEGW-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.23
Rot. Bonds2

About 5-methoxycarbonylthiophene-2-carboxylic acid

5-methoxycarbonylthiophene-2-carboxylic acid (PubChem CID 818352) has the molecular formula C7H6O4S and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-methoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonylthiophene-2-carboxylic acid
PubChem CID818352
Molecular FormulaC7H6O4S
Molecular Weight186.19 g/mol
Exact Mass186.00
IUPAC Name5-methoxycarbonylthiophene-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyHYHZGBOWRWIEGW-UHFFFAOYSA-N
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophenecarboxylic acid
CID 10700
Methyl thenoate
CID 79340
2,5-Thiophenedicarboxylic acid
CID 20273
5-(Methylsulfanyl)thiophene-2-carboxylic acid
CID 714372
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
5-Methylthiophene-2-carboxylic acid
CID 74713
Ethyl 2-thenoate
CID 76052
2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
CID 673658
5-Acetylthiophene-2-carboxylic acid
CID 3742727
5-Ethylthiophene-2-carboxylic acid
CID 588192
5-Fluorothiophene-2-carboxylic acid
CID 11804901
5-(Difluoromethyl)thiophene-2-carboxylic acid
CID 18938081

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonylthiophene-2-carboxylic acid (CID 818352) is 5-methoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonylthiophene-2-carboxylic acid is COC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-methoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is HYHZGBOWRWIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9).
What are the key properties of 5-methoxycarbonylthiophene-2-carboxylic acid?
5-methoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 186.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 818352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).