tiomesterone

Molecule structure of Thiomesterone (CAS NO.2205-73-4) :

IUPAC Name: S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate 
Molecular Weight: 450.65436 g/mol
Molecular Formula: C₂₄H₃₄O₄S₂ 
Density: 1.25 g/cm³ 
Boiling Point: 588.1 °C at 760 mmHg 
Flash Point: 309.5 °C
Index of Refraction: 1.595
Molar Refractivity: 122.51 cm³
Molar Volume: 360.2 cm³
Polarizability: 48.56×10^-24 cm³
Surface Tension: 53.2 dyne/cm 
Enthalpy of Vaporization: 100.78 kJ/mol
Vapour Pressure: 2.79E-16 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 5
Exact Mass: 450.189851
MonoIsotopic Mass: 450.189851
Topological Polar Surface Area: 71.4
Heavy Atom Count: 30
Complexity: 822
Defined Atom StereoCenter Count: 8
Canonical SMILES: CC(=O)SC1CC2=CC(=O)CC(C2(C3C1C4CCC(C4(CC3)C)(C)O)C)SC(=O)C
Isomeric SMILES: CC(=O)S[C@@H]1CC2=CC(=O)C[C@@H]([C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C)SC(=O)C
InChI: InChI=1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1
InChIKey: YUOZKOLALXNELS-SQVYRKCQSA-N
EINECS of Thiomesterone (CAS NO.2205-73-4) : 218-614-4

Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SO_x.

 Thiomesterone (CAS NO.2205-73-4) is also called Tiomesterone ; Tiomesterone [INN] ; Embadol ; Emdabol ; Emdabolin ; Protabol ; ST A 307 ; Tiomesterona ; Tiomesterona [INN-Spanish] ; Tiomesterone ; Tiomesteronum ; Tiomesteronum [INN-Latin] ; UNII-W5K3712F4H ; 1alpha,7alpha-Diacetylthio 17beta-hydroxy-17-methylandrost-4-en-3-one ; Androst-4-en-3-one, 17-beta-hydroxy-1-alpha,7-alpha-dimercapto-17-methyl-, 1,7-diacetate .