4-Thioanisolemagnesium bromide solution

CAT: 0024-sc-226798Size: 50 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-226798Size:50 mL

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CAS Number

18620-04-7

Chemical Information

4-Thioanisolemagnesium bromide

CAS Number	18620-04-7
PubChem CID	10857186
IUPAC Name	magnesium;methylsulfanylbenzene;bromide
Molecular Formula	C7H7BrMgS
Molecular Weight	227.41
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	145

SMILES

CSC1=CC=[C-]C=C1.[Mg+2].[Br-]

InChI

InChI=1S/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1

InChIKey

RIHHDNYCTKOKAZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 18620-04-7

CID: 10857186

Formula: C7H7BrMgS

MW: 227.41

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.41
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	225.93023
Monoisotopic Mass	225.93023
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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