Y1L

(5-chloro-1-benzothiophen-3-yl)methanol

Created:	2023-11-14
Last modified:	2024-02-14

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1 entries where Y1L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of Y1L

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Chemical Component Summary
Name	(5-chloro-1-benzothiophen-3-yl)methanol
Systematic Name (OpenEye OEToolkits)	(5-chloranyl-1-benzothiophen-3-yl)methanol
Formula	C₉ H₇ Cl O S
Molecular Weight	198.669
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2c(cc1)scc2CO
SMILES	CACTVS	3.385	OCc1csc2ccc(Cl)cc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)c(cs2)CO
Canonical SMILES	CACTVS	3.385	OCc1csc2ccc(Cl)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)c(cs2)CO
InChI	InChI	1.06	InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChIKey	InChI	1.06	PUSCUZZEDIEHOQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776136

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.