XL3

propane-1-thiol

Created:	2007-12-20
Last modified:	2024-09-27

Find Related PDB Entry
3 entries where XL3 is found as a standalone ligand9 entries where XL3 is covalently linked to polymer or other heterogen groups

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	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

2D diagram of XL3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	propane-1-thiol
Systematic Name (OpenEye OEToolkits)	propane-1-thiol
Formula	C₃ H₈ S
Molecular Weight	76.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	SCCC
SMILES	CACTVS	3.341	CCCS
SMILES	OpenEye OEToolkits	1.5.0	CCCS
Canonical SMILES	CACTVS	3.341	CCCS
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCS
InChI	InChI	1.03	InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey	InChI	1.03	SUVIGLJNEAMWEG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7848
ChEMBL	CHEMBL1236818
ChEBI	CHEBI:8473

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.