LE3

N-{4-[(R)-methylsulfinyl]butyl}thioformamide

Created:	2011-07-08
Last modified:	2024-09-27

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1 entries where LE3 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of LE3

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Chemical Component Summary
Name	N-{4-[(R)-methylsulfinyl]butyl}thioformamide
Synonyms	L-Sulforaphane, bound form
Systematic Name (OpenEye OEToolkits)	N-[4-[(R)-methylsulfinyl]butyl]methanethioamide
Formula	C₆ H₁₃ N O S₂
Molecular Weight	179.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(CCCCNC=S)C
SMILES	CACTVS	3.370	C[S](=O)CCCCNC=S
SMILES	OpenEye OEToolkits	1.7.2	CS(=O)CCCCNC=S
Canonical SMILES	CACTVS	3.370	C[S@@](=O)CCCCNC=S
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[S@@](=O)CCCCNC=S
InChI	InChI	1.03	InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1
InChIKey	InChI	1.03	ZWRKPZDQBQKJAE-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	137349688

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