argon;methyl 4-bromothiophene-2-carboxylate

C6H5ArBrO2S — CID 146371918

IUPACargon;methyl 4-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(Br)cs1.[Ar]
InChIInChI=1S/C6H5BrO2S.Ar/c1-9-6(8)5-2-4(7)3-10-5;/h2-3H,1H3;
InChIKeyCQNHEOAKBXRZSR-UHFFFAOYSA-N
MW261.02 g/mol
LogP2.30
Rot. Bonds1

About argon;methyl 4-bromothiophene-2-carboxylate

argon;methyl 4-bromothiophene-2-carboxylate (PubChem CID 146371918) has the molecular formula C6H5ArBrO2S and a molecular weight of 261.02 g/mol. Its IUPAC name is argon;methyl 4-bromothiophene-2-carboxylate.

Molecular Properties

Compound Nameargon;methyl 4-bromothiophene-2-carboxylate
PubChem CID146371918
Molecular FormulaC6H5ArBrO2S
Molecular Weight261.02 g/mol
Exact Mass259.88
IUPAC Nameargon;methyl 4-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(Br)cs1.[Ar]
InChIInChI=1S/C6H5BrO2S.Ar/c1-9-6(8)5-2-4(7)3-10-5;/h2-3H,1H3;
InChIKeyCQNHEOAKBXRZSR-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
5-methoxycarbonylthiophene-3-diazonium
CID 15533896
methyl 5,6,7-trichlorocyclopenta[c]thiopyran-3-carboxylate
CID 13162960
methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
CID 133061638
methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 1244132
methyl 3-(4-bromothiophene-2-carbonyl)oxetane-3-carboxylate
CID 116922499
5-methoxycarbonylthiophene-3-diazonium hexafluorophosphate
CID 15533895
methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 107355250
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
CID 169144684

Frequently Asked Questions

What is the IUPAC name of argon;methyl 4-bromothiophene-2-carboxylate?
The IUPAC name of argon;methyl 4-bromothiophene-2-carboxylate (CID 146371918) is argon;methyl 4-bromothiophene-2-carboxylate.
What is the SMILES notation for argon;methyl 4-bromothiophene-2-carboxylate?
The canonical SMILES for argon;methyl 4-bromothiophene-2-carboxylate is COC(=O)c1cc(Br)cs1.[Ar].
What is the InChIKey of argon;methyl 4-bromothiophene-2-carboxylate?
The InChIKey is CQNHEOAKBXRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2S.Ar/c1-9-6(8)5-2-4(7)3-10-5;/h2-3H,1H3;.
What are the key properties of argon;methyl 4-bromothiophene-2-carboxylate?
argon;methyl 4-bromothiophene-2-carboxylate has a molecular weight of 261.02 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;methyl 4-bromothiophene-2-carboxylate is sourced from PubChem (CID 146371918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).