ChemicalBook--->CAS DataBase List--->64559-06-4

64559-06-4

64559-06-4 Structure

64559-06-4 Structure
IdentificationBack Directory
[Name]

3-METHOXY-THIOBENZAMIDE
[CAS]

64559-06-4
[Synonyms]

OTAVA-BB BB7020331317
3-METHOXY-THIOBENZAMIDE
3-Methoxybenzothioamide
3-METHOXYBENZENECARBOTHIOAMIDE
Benzenecarbothioamide, 3-methoxy-
Benzenecarbothioamide, 3-methoxy- (9CI)
[Molecular Formula]

C8H9NOS
[MDL Number]

MFCD04627361
[MOL File]

64559-06-4.mol
[Molecular Weight]

167.23
Chemical PropertiesBack Directory
[Melting point ]

93-98°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 3 mg/ml
[form ]

A crystalline solid
[color ]

Light yellow to yellow
[InChI]

1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
[InChIKey]

LQSZSWBMLMGWPC-UHFFFAOYSA-N
[SMILES]

COc1cccc(c1)C(N)=S
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-43-36
[Safety Statements ]

26-36/37/39-36/37
[WGK Germany ]

3
[HS Code ]

2930909899
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Description]

3-methoxythio Benzamide is a synthetic intermediate useful for pharmaceutical synthesis. Thiobenzamides, including 3-methoxythio benzamide, are potent hepatotoxins in vivo.
[Uses]

3-Methoxybenzothioamide is an active small molecule, that can be ussed as drug intermediate[1].
[References]

[1] Kozlov V A, et al. Thiophosphoryl-, thiophosphoryloxy-, and thiophosphorylamino-benzene derivatives as novel classes of hybrid pincer ligands[J]. Phosphorus, Sulfur, and Silicon and the Related Elements, 2011, 186(4): 626-637.
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