4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium

C11H17Cl2NO5S — CID 110190523

IUPAC4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])c1cc(Cl)c(Cl)s1.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C5H2Cl2O2S/c8-4-1-7(2-5-9)3-6-10;6-2-1-3(5(8)9)10-4(2)7/h8-10H,1-6H2;1H,(H,8,9)
InChIKeyHXNMAUMIVVBKCT-UHFFFAOYSA-N
MW346.23 g/mol
LogP-1.73
Rot. Bonds7

About 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium

4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium (PubChem CID 110190523) has the molecular formula C11H17Cl2NO5S and a molecular weight of 346.23 g/mol. Its IUPAC name is 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium
PubChem CID110190523
Molecular FormulaC11H17Cl2NO5S
Molecular Weight346.23 g/mol
Exact Mass345.02
IUPAC Name4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])c1cc(Cl)c(Cl)s1.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C5H2Cl2O2S/c8-4-1-7(2-5-9)3-6-10;6-2-1-3(5(8)9)10-4(2)7/h8-10H,1-6H2;1H,(H,8,9)
InChIKeyHXNMAUMIVVBKCT-UHFFFAOYSA-N
XLogP-1.73
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichlorothiophene-2-carboxylate;dodecylazanium
CID 110190547
4,5-dichlorothiophene-2-carboxylate;octylazanium
CID 110190536
lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
2-(4,5-dichlorothiophen-2-yl)acetyl chloride
CID 13377461
4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
1-(4,5-dichlorothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
CID 88683271
4-bromo-5-ethylthiophene-2-carboxylate
CID 7019239
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
disodium;5-bromo-4-sulfinatothiophene-2-carboxylate
CID 165455869
2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 39160862
bis(5-chloro-4-methoxythiophen-2-yl)methanone
CID 174849819
6-bromo-4-chloro-1-benzothiophene-2-carboxylic acid
CID 71417897

Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium?
The IUPAC name of 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium (CID 110190523) is 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium is O=C([O-])c1cc(Cl)c(Cl)s1.OCC[NH+](CCO)CCO.
What is the InChIKey of 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium?
The InChIKey is HXNMAUMIVVBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C5H2Cl2O2S/c8-4-1-7(2-5-9)3-6-10;6-2-1-3(5(8)9)10-4(2)7/h8-10H,1-6H2;1H,(H,8,9).
What are the key properties of 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium?
4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium has a molecular weight of 346.23 g/mol, XLogP of -1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorothiophene-2-carboxylate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 110190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).