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14944-00-4

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14944-00-4 Structure

14944-00-4 Structure
IdentificationBack Directory
[Name]

3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one
[CAS]

14944-00-4
[Synonyms]

3,4-Dihydro-2H-1,4-benzothiazepin-5-one
3,4-Dihydro-1,4-benzothiazepin-5(2H)-one
2,3-Dihydro-1,4-benzothiazepin-5(4H)-one
1,4-Benzothiazepin-5(2H)-one, 3,4-dihydro-
3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one
2,3,4,5-TETRAHYDRO-1,4-BENZOTHIAZEPIN-5-ONE
[Molecular Formula]

C9H9NOS
[MDL Number]

MFCD00030761
[MOL File]

14944-00-4.mol
[Molecular Weight]

179.24
Chemical PropertiesBack Directory
[Melting point ]

190-191 °C(Solv: methanol (67-56-1))
[Boiling point ]

420.7±25.0 °C(Predicted)
[density ]

1.227±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

13.70±0.20(Predicted)
[InChI]

InChI=1S/C9H9NOS/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
[InChIKey]

FSBGEQZKWJSKIW-UHFFFAOYSA-N
[SMILES]

S1C2=CC=CC=C2C(=O)NCC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one(14944-00-4)1HNMR
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