16R

(methylsulfanyl)benzene

Created:	2012-10-22
Last modified:	2021-03-01

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2 entries where 16R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 16R

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Chemical Component Summary
Name	(methylsulfanyl)benzene
Synonyms	methyl phenyl sulfide
Systematic Name (OpenEye OEToolkits)	methylsulfanylbenzene
Formula	C₇ H₈ S
Molecular Weight	124.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CSc1ccccc1
SMILES	CACTVS	3.385	CSc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	CSc1ccccc1
Canonical SMILES	CACTVS	3.385	CSc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CSc1ccccc1
InChI	InChI	1.03	InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey	InChI	1.03	HNKJADCVZUBCPG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7520
ChEMBL	CHEMBL192899
ChEBI	CHEBI:134281

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.