M3T

3-methylbenzenethiol

Created:	2014-05-05
Last modified:	2015-03-11

Find Related PDB Entry
1 entries where M3T is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

2D diagram of M3T

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-methylbenzenethiol
Systematic Name (OpenEye OEToolkits)	3-methylbenzenethiol
Formula	C₇ H₈ S
Molecular Weight	124.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Sc1cc(ccc1)C
SMILES	CACTVS	3.385	Cc1cccc(S)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc(c1)S
Canonical SMILES	CACTVS	3.385	Cc1cccc(S)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc(c1)S
InChI	InChI	1.03	InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey	InChI	1.03	WRXOZRLZDJAYDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7930

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.