JL4

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid

Created:	2018-09-11
Last modified:	2018-10-10

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2 entries where JL4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

2D diagram of JL4

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Chemical Component Summary
Name	5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
Formula	C₉ H₇ N O₂ S₂
Molecular Weight	225.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(ccc(c1nc(C)sc1)s2)C(=O)O
SMILES	CACTVS	3.385	Cc1scc(n1)c2sc(cc2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1nc(cs1)c2ccc(s2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1scc(n1)c2sc(cc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nc(cs1)c2ccc(s2)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKey	InChI	1.03	AEDWMWQOFJYAGN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	614467

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