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2,3-Dimethyl-4- (methylthio) phenol

CAT: 0127-OR1093705Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
7379-46-6
MDL Number
MFCD24714166
Smiles
C1 (c (ccc (c1C) SC) O) C

Chemical Information

2,3-Dimethyl-4-(methylthio)phenol
CAS Number7379-46-6
PubChem CID54014927
IUPAC Name2,3-dimethyl-4-methylsulfanylphenol
Molecular FormulaC9H12OS
Molecular Weight168.26
XLogP2.1
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity127
SMILES
CC1=C(C=CC(=C1C)SC)O
InChI
InChI=1S/C9H12OS/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5,10H,1-3H3
InChIKey
KUYSRKXKURTLJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethyl-4-(methylthio)phenol
CAS: 7379-46-6
CID: 54014927
Formula: C9H12OS
MW: 168.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.26
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.06088618
Monoisotopic Mass168.06088618
Topological Polar Surface Area45.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
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
TRC-D474810-1G3,5-Dimethyl-4-(methylthio)phenol
1608243,5-Dimethyl-4- (methylthio) phenol
TRC-M320860-10G3-Methyl-4-(methylthio)phenol
sc-2318443-Methyl-4- (methylthio) phenol
JH6092092- (Methylthio) phenol
sc-4952724-bromo-2- ({[3- (methylthio) phenyl]amino}methyl) phenol
sc-4934272- ({[4- (Methylthio) phenyl]amino}methyl) phenol
sc-4942464-chloro-2- ({[3- (methylthio) phenyl]amino}methyl) phenol
sc-4934622- ({[3- (Methylthio) phenyl]amino}methyl) phenol
sc-4935114-chloro-2- ((E) -{[3- (methylthio) phenyl]imino}methyl) phenol

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