MH5

3-[(5-methylthiophen-2-yl)methylamino]benzoic acid

Created:	2019-10-14
Last modified:	2020-07-01

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2 entries where MH5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of MH5

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Chemical Component Summary
Name	3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
Formula	C₁₃ H₁₃ N O₂ S
Molecular Weight	247.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1sc(CNc2cccc(c2)C(O)=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(s1)CNc2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1sc(CNc2cccc(c2)C(O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(s1)CNc2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChIKey	InChI	1.03	PMNTXRWWXFDZFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	916577

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