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P-Acetamidobenzenethiol 95%

CAT: 0286-A00680-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-A00680-01Size:1 g
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CAS Number
1126-81-4
Synonyms
4'-Mercaptoacetanilide; 4-Acetamidothiophenol; p-Acetaminobenzenethiol; 4-Acetamidobenzenethiol; p-Acetamidophenylmercaptan; p-Acetamidothiophenol
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004848
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
Not D.O.T.-Regulated
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

4'-Mercaptoacetanilide
CAS Number1126-81-4
PubChem CID70777
IUPAC NameN-(4-sulfanylphenyl)acetamide
Molecular FormulaC8H9NOS
Molecular Weight167.23
XLogP1.7
Topological Polar Surface Area30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity141
SMILES
CC(=O)NC1=CC=C(C=C1)S
InChI
InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
AYEQJLOHMLYKAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Mercaptoacetanilide
CAS: 1126-81-4
CID: 70777
Formula: C8H9NOS
MW: 167.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.23
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass167.04048508
Monoisotopic Mass167.04048508
Topological Polar Surface Area30.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity141
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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