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Midesteine
[CAS# 94149-41-4]

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CAS#: 94149-41-4
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Identification
Name Midesteine
Synonyms S-[1-Methyl-2-Oxo-2-[(2-Oxotetrahydrothiophen-3-Yl)Amino]Ethyl] Thiophene-2-Carbothioate; 2-Thiophenecarbothioic Acid S-[1-Methyl-2-Oxo-2-[(2-Oxo-3-Tetrahydrothiophenyl)Amino]Ethyl] Ester; Thiophene-2-Carbothioic Acid S-[2-Keto-2-[(2-Ketotetrahydrothiophen-
Molecular Structure CAS#: 94149-41-4, Midesteine
Molecular Formula C12H13NO3S3
Molecular Weight 315.42
CAS Registry Number 94149-41-4
SMILES C2=C(C(SC(C(NC1C(SCC1)=O)=O)C)=O)SC=C2
InChI 1S/C12H13NO3S3/c1-7(19-12(16)9-3-2-5-17-9)10(14)13-8-4-6-18-11(8)15/h2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKey MKTVMEMIKNBVHI-UHFFFAOYSA-N
Properties
Density 1.429g/cm3 (Cal.)
Boiling point 559.254°C at 760 mmHg (Cal.)
Flash point 292.027°C (Cal.)
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