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2-Bromo-4- (methylthio) phenol

CAT: 0127-OR1057703-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057703-01Size:100 mg
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CAS Number
131845-96-0
Purity
97%
Smiles
OC1=CC=C(SC)C=C1Br

Chemical Information

2-Bromo-4-(methylthio)phenol
CAS Number131845-96-0
PubChem CID54344931
IUPAC Name2-bromo-4-methylsulfanylphenol
Molecular FormulaC7H7BrOS
Molecular Weight219.10
XLogP3
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
CSC1=CC(=C(C=C1)O)Br
InChI
InChI=1S/C7H7BrOS/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
UBQLVZHSQKAGMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-(methylthio)phenol
CAS: 131845-96-0
CID: 54344931
Formula: C7H7BrOS
MW: 219.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.10
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass217.94010
Monoisotopic Mass217.94010
Topological Polar Surface Area45.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-4952884-bromo-2- ({[4- (methylthio) phenyl]amino}methyl) phenol
sc-4952724-bromo-2- ({[3- (methylthio) phenyl]amino}methyl) phenol
sc-4948374-Bromo-2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
JH6092092- (Methylthio) phenol
sc-4948364-Bromo-2- ((E) -{[3- (methylthio) phenyl]imino}methyl) phenol
TRC-M320860-10G3-Methyl-4-(methylthio)phenol
sc-2318443-Methyl-4- (methylthio) phenol
sc-4934272- ({[4- (Methylthio) phenyl]amino}methyl) phenol
sc-4929094-Chloro-2- ({[4- (methylthio) benzyl]amino}methyl) phenol
sc-4951272- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol

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