3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid

C12H10O3S2 — CID 14154221

IUPAC3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
SMILESCOc1ccc(Sc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H10O3S2/c1-15-8-2-4-9(5-3-8)17-10-6-7-16-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVBPXEJZDBAJBIL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.61
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid

3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid (PubChem CID 14154221) has the molecular formula C12H10O3S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
PubChem CID14154221
Molecular FormulaC12H10O3S2
Molecular Weight266.34 g/mol
Exact Mass266.01
IUPAC Name3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
SMILESCOc1ccc(Sc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H10O3S2/c1-15-8-2-4-9(5-3-8)17-10-6-7-16-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVBPXEJZDBAJBIL-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 21162525
3-iodo-4-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91878620
4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
CID 91878618
2-[5-amino-2-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91880029
N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-3-phenylsulfanylthiophene-2-carboxamide
CID 132581590
2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboxylic acid
CID 107555127
2-methoxycarbonyl-5-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91879038
methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
CID 146311234
1-[5-(4-methoxyphenyl)sulfanylthiophen-2-yl]ethanone
CID 102101600
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid (CID 14154221) is 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid is COc1ccc(Sc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is VBPXEJZDBAJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S2/c1-15-8-2-4-9(5-3-8)17-10-6-7-16-11(10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid?
3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 14154221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).