3,5-dichloro-4-methylthiophene-2-carboxylic acid

C6H4Cl2O2S — CID 170992349

IUPAC3,5-dichloro-4-methylthiophene-2-carboxylic acid
SMILESCc1c(Cl)sc(C(=O)O)c1Cl
InChIInChI=1S/C6H4Cl2O2S/c1-2-3(7)4(6(9)10)11-5(2)8/h1H3,(H,9,10)
InChIKeyGMTKVRUOLTVVMD-UHFFFAOYSA-N
MW211.07 g/mol
LogP3.06
Rot. Bonds1

About 3,5-dichloro-4-methylthiophene-2-carboxylic acid

3,5-dichloro-4-methylthiophene-2-carboxylic acid (PubChem CID 170992349) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is 3,5-dichloro-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-4-methylthiophene-2-carboxylic acid
PubChem CID170992349
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Name3,5-dichloro-4-methylthiophene-2-carboxylic acid
SMILESCc1c(Cl)sc(C(=O)O)c1Cl
InChIInChI=1S/C6H4Cl2O2S/c1-2-3(7)4(6(9)10)11-5(2)8/h1H3,(H,9,10)
InChIKeyGMTKVRUOLTVVMD-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-5-methylthiophene-2-carboxylic acid
CID 54332339
4,5-dichloro-3-hydroxythiophene-2-carboxylic acid
CID 101043831
2,3,5-trichloro-4-methylthiophene
CID 15073981
3-chloro-4,5-difluorothiophene-2-carboxylic acid
CID 126749950
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
3,5-dichloro-2,4,6-trimethylbenzoic acid
CID 82645725
3-chloro-4,5-bis(chloromethyl)thiophene-2-carboxylic acid
CID 18376936
3,4,5-trichlorothiophene-2-carbonyl chloride
CID 7010308
2,5-dichloro-3,4,6-trimethylbenzoic acid
CID 20648398
3,4,7-trichloro-1-benzothiophene-2-carboxylic acid
CID 16770185
2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid
CID 117061645
ethyl 2-[(4,5-dichloro-3-methylthiophene-2-carbonyl)amino]acetate
CID 146291401

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3,5-dichloro-4-methylthiophene-2-carboxylic acid (CID 170992349) is 3,5-dichloro-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3,5-dichloro-4-methylthiophene-2-carboxylic acid is Cc1c(Cl)sc(C(=O)O)c1Cl.
What is the InChIKey of 3,5-dichloro-4-methylthiophene-2-carboxylic acid?
The InChIKey is GMTKVRUOLTVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2S/c1-2-3(7)4(6(9)10)11-5(2)8/h1H3,(H,9,10).
What are the key properties of 3,5-dichloro-4-methylthiophene-2-carboxylic acid?
3,5-dichloro-4-methylthiophene-2-carboxylic acid has a molecular weight of 211.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 170992349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).