(S) -Sulforaphane

CAT: 0024-sc-208377ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-208377ASize:100 mg

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CAS Number

155320-20-0

Chemical Information

Sulforaphane, (S)-

(S)-sulforaphane is a sulforaphane in which the sulfinyl group has S configuration. It is an enantiomer of a (R)-sulforaphane.

CAS Number	155320-20-0
PubChem CID	10419733
IUPAC Name	1-isothiocyanato-4-[(S)-methylsulfinyl]butane
Molecular Formula	C6H11NOS2
Molecular Weight	177.3
XLogP	1.4
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	152

SMILES

C[S@](=O)CCCCN=C=S

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1

InChIKey

SUVMJBTUFCVSAD-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 155320-20-0

CID: 10419733

Formula: C6H11NOS2

MW: 177.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.3
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	177.02820632
Monoisotopic Mass	177.02820632
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes