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3-Ethyl-2,3,5,6,7,8-hexahydro-2-thioxo-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one
[CAS# 59898-66-7]

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Identification
Name 3-Ethyl-2,3,5,6,7,8-hexahydro-2-thioxo-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one
Synonyms 3-Ethyl-2-Thioxo-5,6,7,8-Tetrahydro-1H-Benzothiopheno[3,2-E]Pyrimidin-4-One; Ak-968/11842174; Nsc622290
Molecular Structure CAS#: 59898-66-7, 3-Ethyl-2,3,5,6,7,8-hexahydro-2-thioxo-[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one
Molecular Formula C12H14N2OS2
Molecular Weight 266.38
CAS Registry Number 59898-66-7
SMILES C(C)N3C(=O)C1=C(SC2=C1CCCC2)NC3=S
InChI 1S/C12H14N2OS2/c1-2-14-11(15)9-7-5-3-4-6-8(7)17-10(9)13-12(14)16/h2-6H2,1H3,(H,13,16)
InChIKey AIZMLSXBOPVFHY-UHFFFAOYSA-N
Properties
Density 1.409g/cm3 (Cal.)
Boiling point 455.888°C at 760 mmHg (Cal.)
Flash point 229.513°C (Cal.)
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