Same Parent, Connectivity for PubChem Compound (Select 10976074) - PubChem Compound - NCBI

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Items: 10

Select item 109760741.

an image of a chemical structure CID 10976074

MW:: 179.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1-isothiocyanato-4-methylsulfinyl(114C)butane

Create Date:: 2006-10-26

CID:: 10976074

Summary Similar Compounds Same Parent, Connectivity

Select item 113898132.

an image of a chemical structure CID 11389813

D,L-Sulforaphane-d8; 836682-32-7; 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinylbutane ...

MW:: 185.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfin...

Create Date:: 2006-10-26

CID:: 11389813

Summary Similar Compounds Same Parent, Connectivity

Select item 105115603.

an image of a chemical structure CID 10511560

MW:: 179.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1-isothiocyanato-4-(114C)methylsulfinylbutane

Create Date:: 2006-10-25

CID:: 10511560

Summary Similar Compounds Same Parent, Connectivity

Select item 104197334.

an image of a chemical structure CID 10419733

(S)-sulforaphane; 155320-20-0; 1-isothiocyanato-4-[(S)-methylsulfinyl]butane ...

MW:: 177.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1-isothiocyanato-4-[(S)-methylsulfinyl]butane

Create Date:: 2006-10-25

CID:: 10419733

Summary Similar Compounds Same Parent, Connectivity PubMed (MeSH Keyword)

Select item 95773795.

an image of a chemical structure CID 9577379

L-Sulforaphane; (R)-sulforaphane; 142825-10-3 ...

MW:: 177.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1-isothiocyanato-4-[(R)-methylsulfinyl]butane

Create Date:: 2006-10-24

CID:: 9577379

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 53506.

an image of a chemical structure CID 5350

sulforaphane; 4478-93-7; DL-Sulforaphane ...

MW:: 177.300
MF:: C₆H₁₁NOS₂

IUPAC name:: 1-isothiocyanato-4-methylsulfinylbutane

Create Date:: 2005-03-25

CID:: 5350

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 1465715267.

an image of a chemical structure CID 146571526

SCHEMBL21963451

MW:: 236.400
MF:: C₇H₁₂N₂OS₃

IUPAC name:: 1-isothiocyanato-4-methylsulfinylbutane;thiocyanic acid

Create Date:: 2020-06-27

CID:: 146571526

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 1385048498.

an image of a chemical structure CID 138504849

SCHEMBL20855320

MW:: 531.900
MF:: C₁₈H₃₃N₃O₃S₆

IUPAC name:: 1-isothiocyanato-4-methylsulfinylbutane

Create Date:: 2019-07-20

CID:: 138504849

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 902399029.

an image of a chemical structure CID 90239902

SCHEMBL15822685

MW:: 354.600
MF:: C₁₂H₂₂N₂O₂S₄

IUPAC name:: 1-isothiocyanato-4-methylsulfinylbutane

Create Date:: 2015-02-13

CID:: 90239902

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 8731224610.

an image of a chemical structure CID 87312246

MW:: 236.400
MF:: C₇H₁₂N₂OS₃

Create Date:: 2015-02-12

CID:: 87312246

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

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Chemical Properties

Rule of 5 (6)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (3)
Compounds identified as active in screening experiments

BioAssays, Tested (3)
Compounds identified as tested in screening experiments

BioMedical Annotation

Pharmacological Actions (3)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (1)
Compounds involved in biological pathways

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