3SS

3-disulfanylpropanoic acid

Created:	2013-06-12
Last modified:	2013-10-23

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1 entries where 3SS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of 3SS

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Chemical Component Summary
Name	3-disulfanylpropanoic acid
Systematic Name (OpenEye OEToolkits)	3-(disulfanyl)propanoic acid
Formula	C₃ H₆ O₂ S₂
Molecular Weight	138.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCSS
SMILES	CACTVS	3.370	OC(=O)CCSS
SMILES	OpenEye OEToolkits	1.7.6	C(CSS)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CCSS
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CSS)C(=O)O
InChI	InChI	1.03	InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
InChIKey	InChI	1.03	CXXDUKKBFUFJDF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19881902

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