L-Sulforaphene

CAT: 0024-sc-202690ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202690ASize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

592-95-0

Chemical Information

Sulforaphen

structure in first source

CAS Number	592-95-0
PubChem CID	6433206
IUPAC Name	(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
Molecular Formula	C6H9NOS2
Molecular Weight	175.3
XLogP	1.5
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	182

SMILES

CS(=O)/C=C/CCN=C=S

InChI

InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+

InChIKey

QKGJFQMGPDVOQE-HWKANZROSA-N

Chemical Structure

2D Structure

CAS: 592-95-0

CID: 6433206

Formula: C6H9NOS2

MW: 175.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.3
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	175.01255626
Monoisotopic Mass	175.01255626
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	182
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-S699440-10MG	Sulforaphene
A24183-100	Sulforaphene 100mg
HY-N2450R	Sulforaphene (Standard)
A24183-50	Sulforaphene 50mg
A24183-10	Sulforaphene 10mg
A24183-5	Sulforaphene 5mg
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