BTZ043 supplier | CasNO.1161233-85-7

Name
BTZ043
EINECS
CAS No. 1161233-85-7
Article Data4
CAS DataBase
Density 1.683 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₆F₃N₃O₅S
Boiling Point 547.558 °C at 760 mmHg
Molecular Weight 431.3862
Flash Point 284.953 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(3S)-3-Methyl-1, 4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1, 3-benzothiazin-4-one;
PSA 125.72000
LogP 3.90350

BTZ043 Specification

The BTZ043 has CAS registry number 1161233-85-7. This chemical's molecular formula is C₁₇H₁₆F₃N₃O₅S and molecular weight is 431.3862. What's more, its systematic name is called 2-[(3S)-3-Methyl-1, 4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1, 3-benzothiazin-4-one.

Physical properties about BTZ043 are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.862; (6)ACD/BCF (pH 7.4): 164.862; (7)ACD/KOC (pH 5.5): 1344.693; (8)ACD/KOC (pH 7.4): 1344.694; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 122.25 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 95.299 cm³; (15)Molar Volume: 256.262 cm³; (16)Surface Tension: 57.988 dyne/cm; (17)Density: 1.683 g/cm³; (18)Flash Point: 284.953 °C; (19)Enthalpy of Vaporization: 82.693 kJ/mol; (20)Boiling Point: 547.558 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H]1COC2(O1)CCN(CC2)c3nc(=O)c4cc(cc(c4s3)[N+](=O)[O-])C(F)(F)F
(2) InChI: InChI=1/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
(3) InChIKey: GTUIRORNXIOHQR-VIFPVBQEBW

Product Name

BTZ043

BTZ043 Specification

Related Products

Hot Products