SS9

5-[(3-aminopropyl)amino]pentane-1-thiol

Created:	2015-05-18
Last modified:	2015-07-29

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4 entries where SS9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	0

2D diagram of SS9

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Chemical Component Summary
Name	5-[(3-aminopropyl)amino]pentane-1-thiol
Systematic Name (OpenEye OEToolkits)	5-(3-azanylpropylamino)pentane-1-thiol
Formula	C₈ H₂₀ N₂ S
Molecular Weight	176.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(N)CCNCCCCCS
SMILES	CACTVS	3.385	NCCCNCCCCCS
SMILES	OpenEye OEToolkits	1.9.2	C(CCNCCCN)CCS
Canonical SMILES	CACTVS	3.385	NCCCNCCCCCS
Canonical SMILES	OpenEye OEToolkits	1.9.2	C(CCNCCCN)CCS
InChI	InChI	1.03	InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2
InChIKey	InChI	1.03	UEAAWEWNMXIYCA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71726582
ChEMBL	CHEMBL3040253

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.