A65

[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol

Created:	2017-08-16
Last modified:	2017-11-01

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1 entries where A65 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of A65

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Chemical Component Summary
Name	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
Systematic Name (OpenEye OEToolkits)	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
Formula	C₆ H₉ N O S₃
Molecular Weight	207.337
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CSc1snc(SC)c1CO
SMILES	OpenEye OEToolkits	2.0.6	CSc1c(c(sn1)SC)CO
Canonical SMILES	CACTVS	3.385	CSc1snc(SC)c1CO
Canonical SMILES	OpenEye OEToolkits	2.0.6	CSc1c(c(sn1)SC)CO
InChI	InChI	1.03	InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3
InChIKey	InChI	1.03	SIFVTEYXNRZCMI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2739015
ChEMBL	CHEMBL1891657

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.