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O-Methoxybenzenethiol

CAT: 0286-M06877-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-M06877-01Size:1 g
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CAS Number
7217-59-6
Synonyms
2-Mercaptoanisole; 2-Methoxythiophenol; Thioguaiacol
UN Code
UN3334
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004834
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Aviation Regulated Liquid, N.O.S.
DOT Classification
Class 9
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Thioguaiacol

2-Methoxybenzenethiol is a thiol.

CAS Number7217-59-6
PubChem CID23642
IUPAC Name2-methoxybenzenethiol
Molecular FormulaC7H8OS
Molecular Weight140.20
XLogP2.3
Topological Polar Surface Area10.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
COC1=CC=CC=C1S
InChI
InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey
DSCJETUEDFKYGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thioguaiacol
CAS: 7217-59-6
CID: 23642
Formula: C7H8OS
MW: 140.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.20
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.02958605
Monoisotopic Mass140.02958605
Topological Polar Surface Area10.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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
426289-013-Methoxybenzenethiol
AAA76813-015-Chloro-2-methoxybenzenethiol
OR970054-Chloro-3-methoxybenzenethiol
JH5531703-fluoro-4-methoxybenzenethiol
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OR939051-012-Amino-5-methoxybenzenethiol
PC102250-014-Fluoro-3-methoxybenzenethiol
PAA482322-Amino-4-methoxybenzenethiol
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