4MI

4-methylsulfanylbenzoic acid

Created:	2016-07-11
Last modified:	2018-01-17

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4 entries where 4MI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 4MI

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Chemical Component Summary
Name	4-methylsulfanylbenzoic acid
Systematic Name (OpenEye OEToolkits)	4-methylsulfanylbenzoic acid
Formula	C₈ H₈ O₂ S
Molecular Weight	168.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CSc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.5	CSc1ccc(cc1)C(=O)O
Canonical SMILES	CACTVS	3.385	CSc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CSc1ccc(cc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey	InChI	1.03	KWHCPERWLHBLOT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	83230
ChEMBL	CHEMBL99816

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