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637-53-6

637-53-6 Structure

637-53-6 Structure
IdentificationMore
[Name]

THIOACETANILIDE
[CAS]

637-53-6
[Synonyms]

SPECS AQ-012/40221353
THIOACETANILIDE
Acetanilide, thio-
Ethanethioamide,N-phenyl-
n-phenyl-ethanethioamid
N-Phenylethanethioamide
N-Phenylthioacetamide
N-Phenyl-thioacetamide
thio-acetanilid
USAF ek-1902
usafek-1902
Thilacetanilide
Thioacetanilide99%
USAF AK-1902
[EINECS(EC#)]

211-288-4
[Molecular Formula]

C8H9NS
[MDL Number]

MFCD00004942
[Molecular Weight]

151.23
[MOL File]

637-53-6.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

76-79 °C (lit.)
[Boiling point ]

147 °C / 1mmHg
[density ]

1.1041 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

11.16±0.70(Predicted)
[color ]

White to Gray to Brown
[Cosmetics Ingredients Functions]

BLEACHING
ANTIOXIDANT
[InChI]

1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
[InChIKey]

MWCGLTCRJJFXKR-UHFFFAOYSA-N
[SMILES]

CC(=S)Nc1ccccc1
[LogP]

1.710
[CAS DataBase Reference]

637-53-6(CAS DataBase Reference)
[EPA Substance Registry System]

Thioacetanilide (637-53-6)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

AE7350000
[TSCA ]

TSCA listed
[HS Code ]

29309099
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3,2-Dioxaphosphorinane, 2-(acetylthio)-5,5-dimethyl-, 2-sulfide (9CI)-->Disulfide, bis[1-(phenylimino)ethyl] (9CI)-->diacetanilide-->Acetophenone oxime-->Phenyl isothiocyanate-->Methyllithium-->Thioacetic acid-->Copper(II) acetate-->Aniline-->Acetanilide
[Preparation Products]

2-Methylbenzothiazole-->2-Morpholin-4-yl-1,3-thiazol-4(5H)-one
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

Thioacetanilide (N-Phenylthioacetamide) is a thioderivative of acetanilide that exhibits Z/E isomer preference and solvent dependence[1].
[General Description]

Metabolism and acute toxicity of thioacetanilide has been studied in rat. Thioacetanilide undergoes nucleophilic addition reaction with superoxide ion in dimethyl sulfoxide.
[References]

[1] Song S, et al. Contribution of Solvents to Geometrical Preference in the Z/E Equilibrium of N-Phenylthioacetamide. J Org Chem. 2022 Feb 4;87(3):1641-1660. DOI:10.1021/acs.joc.1c00801
Spectrum DetailBack Directory
[Spectrum Detail]

THIOACETANILIDE(637-53-6)MS
THIOACETANILIDE(637-53-6)1HNMR
THIOACETANILIDE(637-53-6)13CNMR
THIOACETANILIDE(637-53-6)IR1
THIOACETANILIDE(637-53-6)IR2
THIOACETANILIDE(637-53-6)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Thioacetanilide, 99+%(637-53-6)
[Sigma Aldrich]

637-53-6(sigmaaldrich)
[TCI AMERICA]

Thioacetanilide,>98.0%(T)(637-53-6)
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