10-Acetylphenothiazine

HCID 74200

Notes Reactions

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Basic information

CAS: 1628-29-1
Standard SMILES: CC(=O)N1c2ccccc2Sc2ccccc21
InChIKey: DNVNQWUERFZASD-UHFFFAOYSA-N
Molecular formula: C14H11NOS
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.05613515

Names & identifiers

Preferred name: 10-Acetylphenothiazine
IUPAC: 1-phenothiazin-10-ylethanone
English name: methyl phenothiazin-10-yl ketone
Molecular formula: C14H11NOS
Molecular weight: 241.31

Names & synonyms

1628-29-11-(10H-phenothiazin-10-yl)ethanone10-AcetylphenothiazineMethyl phenothiazin-10-yl ketone10-Acetyl-10H-phenothiazine1-(10H-phenothiazin-10-yl)ethan-1-oneP2H6XAV83RNSC-14724DTXSID30167473RefChem:77430DTXCID7089964DNVNQWUERFZASD-UHFFFAOYSA-N

Show more names

Ethanone,1-(10H-phenothiazin-10-yl)-

InChI=1/C14H11NOS/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H1-phenothiazin-10-ylethanone10H-PHENOTHIAZINE, 10-ACETYL-Phenothiazine, 10-acetyl-MFCD00022264Ethanone, 1-(10H-phenothiazin-10-yl)-EINECS 216-621-7CBMicro_018844

Database identifiers

CAS: 1628-29-1
PubChem CID: 74200
DTXSID: DTXSID30167473
ChEMBL: CHEMBL1437772
UNII: P2H6XAV83R
EC Number: 216-621-7
Nikkaji: J25.656K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 285

Experimental & physicochemical properties

Solubility26.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 198 °C · 198 °C(Solv: ethanol (64-17-5))
Boiling point: 470.6 · 470.6±15.0 °C(Predicted)
Density: 1.284 · 1.284±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: -3.65 · -3.65±0.20(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C14H11NOS/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3
InChIKey: DNVNQWUERFZASD-UHFFFAOYSA-N
SMILES: C(=O)(N1C2=CC=CC=C2SC2=C1C=CC=C2)C
FDA UNII: 2 H6XAV83R · P2H6XAV83R
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934.3 · 2934.30.5000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code: 2934.30.5000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses10-Acetylphenothiazine has been studied as a possible redox shuttle additive for chemical overcharge and overdischarge protection for lithium-ion batteries. It was used as a reagent in the synthesis of triazolopyridinylphenothiazines which displayed significant antibacterial and antifungal activity.

Upstream & downstream products

Upstream raw materials

Phenothiazine 10H-Phenothiazine-10-acetaldehyde, α-oxo-, aldehydo-hydrazone, [C(E)]-Acetyl chloride

Downstream products

10-ethyl-10H-phenothiazine acepromazine 10-Acetyl-10H-phenothiazine 5-oxide 10-acetyl-2-propionyl-10H-phenothiazine 10-Acetyl-10H-phenothiazine 5,5-dioxide

Suppliers48 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

5 records

New reaction record

HRID 131100As productuspto-grants-2008_06

HRID 177715As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1145061As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1686372As productuspto-grants-2012_04

HRID 2375168As productuspto-grants-2008_12

Compound notes

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