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3,5-Dimethoxythiophenol

CAT: 0024-sc-206710Size: 1 gDry Ice: NoHazardous: No
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CAS Number
19689-66-8

Chemical Information

3,5-Dimethoxybenzenethiol
CAS Number19689-66-8
PubChem CID4713145
IUPAC Name3,5-dimethoxybenzenethiol
Molecular FormulaC8H10O2S
Molecular Weight170.23
XLogP2.1
Topological Polar Surface Area19.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity107
SMILES
COC1=CC(=CC(=C1)S)OC
InChI
InChI=1S/C8H10O2S/c1-9-6-3-7(10-2)5-8(11)4-6/h3-5,11H,1-2H3
InChIKey
XGZPXJQXMHEIIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxybenzenethiol
CAS: 19689-66-8
CID: 4713145
Formula: C8H10O2S
MW: 170.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass170.04015073
Monoisotopic Mass170.04015073
Topological Polar Surface Area19.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity107
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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