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Sulforemate

CAT: 0931-T34745-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34745-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187612-30-2
Target
Others
Related Pathways
Others
Bioactivity
Sulforemate is a phase II enzyme inducer for chemopreventive activities.
Smiles
C(CNC(SC)=S)CCS(C)=O
Molecular Formula
C7H15NOS3
Molecular Weight
225.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sulforamate

an analog of sulforaphane; structure given in first source

CAS Number187612-30-2
PubChem CID10443664
IUPAC Namemethyl N-(4-methylsulfinylbutyl)carbamodithioate
Molecular FormulaC7H15NOS3
Molecular Weight225.4
XLogP0.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
CSC(=S)NCCCCS(=O)C
InChI
InChI=1S/C7H15NOS3/c1-11-7(10)8-5-3-4-6-12(2)9/h3-6H2,1-2H3,(H,8,10)
InChIKey
SNJJPZNVUIICCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulforamate
CAS: 187612-30-2
CID: 10443664
Formula: C7H15NOS3
MW: 225.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.4
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass225.03157762
Monoisotopic Mass225.03157762
Topological Polar Surface Area106 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784243Sulforemate

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