ChemicalBook--->CAS DataBase List--->68881-66-3

68881-66-3

68881-66-3 Structure

68881-66-3 Structure
IdentificationBack Directory
[Name]

azepane-1-carbothioamide
[CAS]

68881-66-3
[Synonyms]

UKRORGSYN-BB BBV-027300
azepane-1-carbothioamide
1-thiocarbamoylhexahydroazepine
1H-Azepine-1-carbothioamide, hexahydro-
azepane-1-carbothioamide(SALTDATA: FREE)
[Molecular Formula]

C7H14N2S
[MDL Number]

MFCD09055277
[MOL File]

68881-66-3.mol
[Molecular Weight]

158.26
Chemical PropertiesBack Directory
[Melting point ]

128 °C
[Boiling point ]

256.9±23.0 °C(Predicted)
[density ]

1.118±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

16.34±0.20(Predicted)
[InChI]

1S/C7H14N2S/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10)
[InChIKey]

QSQNPWDEVCHJJC-UHFFFAOYSA-N
[SMILES]

NC(=S)N1CCCCCC1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
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