S-1,3-Benzothiazol-2-yl (2Z)-(acetoxyimino)(2-amino-1,3-thiazol-4-yl)ethanethioate supplier

Name
S-2-BENZOTHIAZOLYL (Z)-2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-METHOXYIMINO THIOACETATE
EINECS
CAS No. 104797-47-9
Article Data6
CAS DataBase
Density 1.667 g/cm³
Solubility 76.6μg/L at 20℃
Melting Point 143-145℃
Formula C₁₄H₁₀N₄O₃S₃
Boiling Point 598.834 °C at 760 mmHg
Molecular Weight 378.456
Flash Point 315.964 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Thiazoleethanethioicacid, a-[(acetyloxy)imino]-2-amino-,S-2-benzothiazolyl ester, (Z)-;2-Mercaptobenzothiazolyl(Z)-2-(2-amino-4-thiazolyl)-2-acetyloxyiminoacetate;S-2-Benzothiazolyl (Z)-2-(2-aminothiazol-4-yl)-2-acetyloxyiminothioacetate;
PSA 185.13000
LogP 2.98060

S-1,3-Benzothiazol-2-yl (2Z)-(acetoxyimino)(2-amino-1,3-thiazol-4-yl)ethanethioate Specification

The CAS register number of 4-Thiazoleethanethioicacid, a-[(acetyloxy)imino]-2-amino-,S-2-benzothiazolyl ester, (aZ)- is 104797-47-9. It also can be called as S-2-Benzothiazolyl (Z)-2-(2-aminothiazol-4-yl)-2-acetyloxyiminothioacetate and the systematic name about this chemical is S-1,3-benzothiazol-2-yl (2Z)-[(acetyloxy)imino](2-amino-1,3-thiazol-4-yl)ethanethioate. The molecular formula about this chemical is C₁₄H₁₀N₄O₃S₃ and the molecular weight is 351.43.

Physical properties about 4-Thiazoleethanethioicacid, a-[(acetyloxy)imino]-2-amino-,S-2-benzothiazolyl ester, (aZ)- are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.24; (4)ACD/BCF (pH 5.5): 171.08; (5)ACD/BCF (pH 7.4): 171.09; (6)ACD/KOC (pH 5.5): 1380.8; (7)ACD/KOC (pH 7.4): 1380.85; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 166.53Å²; (12)Index of Refraction: 1.797; (13)Molar Refractivity: 96.83 cm³; (14)Molar Volume: 227 cm³; (15)Polarizability: 38.38x10^-24cm³; (16)Surface Tension: 75.1 dyne/cm; (17)Enthalpy of Vaporization: 89.17 kJ/mol; (18)Boiling Point: 598.8 °C at 760 mmHg; (19)Vapour Pressure: 2.66E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O\N=C(\c1nc(sc1)N)C(=O)Sc2nc3ccccc3s2)C
(2)InChI: InChI=1/C14H10N4O3S3/c1-7(19)21-18-11(9-6-22-13(15)16-9)12(20)24-14-17-8-4-2-3-5-10(8)23-14/h2-6H,1H3,(H2,15,16)/b18-11-
(3)InChIKey: YFYDYMYITUSDEE-WQRHYEAKBE
(4)Std. InChI: InChI=1S/C14H10N4O3S3/c1-7(19)21-18-11(9-6-22-13(15)16-9)12(20)24-14-17-8-4-2-3-5-10(8)23-14/h2-6H,1H3,(H2,15,16)/b18-11-
(5)Std. InChIKey: YFYDYMYITUSDEE-WQRHYEAKSA-N

Product Name

S-2-BENZOTHIAZOLYL (Z)-2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-METHOXYIMINO THIOACETATE

S-1,3-Benzothiazol-2-yl (2Z)-(acetoxyimino)(2-amino-1,3-thiazol-4-yl)ethanethioate Specification

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