Name: Name:METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE
Brand: Angene
SKU: AG00C08V
Rating: 90 (10 reviews)

METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE

CAS No.:

3490-92-4

Catalog Number:

AG00C08V

Molecular Formula:

C7H9NO2S2

Molecular Weight:

203.2819

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Product Description

Catalog Number:

AG00C08V

Chemical Name:

METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE

CAS Number:

3490-92-4

Molecular Formula:

C7H9NO2S2

Molecular Weight:

203.2819

MDL Number:

MFCD00067841

IUPAC Name:

methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate

InChI:

InChI=1S/C7H9NO2S2/c1-10-6(9)5(4-8)7(11-2)12-3/h1-3H3

InChI Key:

SJDBEROAEMAOJW-UHFFFAOYSA-N

SMILES:

N#CC(=C(SC)SC)C(=O)OC

NSC Number:

266105

Properties

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.274g/mol

Monoisotopic Mass:

203.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Studies on the reactivity of (9-Methyl-5,6-dihydronaphtho[1â,2â:4,5]-thieno[2,3-d]pyrimidin-11-yl)hydrazine towards some reagents for biological evaluation.	Scientia pharmaceutica 20100101
Facile synthesis of fused pyrazolo[1,5-a]pyrimidinepyrazolo [1,5-a]triazines and N-sulphonamidopyrazoles as antiinflammatory.	Acta poloniae pharmaceutica 20030101

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