(5aS,6S)-5a-Methyl-4,5,6,7,10,11-Hexahydroisothiochromeno[7,8-e][1]Benzothiol-6-Ol
[CAS# 78854-35-0]

Identification

• Name: (5aS,6S)-5a-Methyl-4,5,6,7,10,11-Hexahydroisothiochromeno[7,8-e][1]Benzothiol-6-Ol
• Synonyms: (5As,6S)-5A-Methyl-4,5,6,7,10,11-Hexahydroisothiochromeno[7,8-E]Benzothiophen-6-Ol; 4H-Thieno(3',2':5,6)Naphtho(1,2-C)Thiopyran-6-Ol, 5,5A,6,7,10,11-Hexahydro-5A-Methyl-, Trans-(+-)-; A-Nor-3,16-Dithia-D-Homo-1,5(10),8,14-Estratetraen-17-Ol
• Molecular Formula: C₁₆H₁₈OS₂
• Molecular Weight: 290.44
• CAS Registry Number: 78854-35-0
• SMILES: [C@@]14(C(=CSC[C@H]1O)C3=C(C2=C(SC=C2)CC3)CC4)C
• InChI: 1S/C16H18OS2/c1-16-6-4-10-11(13(16)8-18-9-15(16)17)2-3-14-12(10)5-7-19-14/h5,7-8,15,17H,2-4,6,9H2,1H3/t15-,16+/m1/s1
• InChIKey: SCBZANADWSAVET-CVEARBPZSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 503.132°C at 760 mmHg (Cal.)
• Flash point: 258.085°C (Cal.)