Products Categories
CAS No.: | 143621-35-6 |
---|---|
Name: | 3-aminopyridine-2-carboxaldehyde thiosemicarbazone |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H9N5S |
Molecular Weight: | 195.248 |
Synonyms: | 3-Aminopyridine-2-carboxaldehyde thiosemicarbazone;NSC 663249;OCX 191;Pan811;Triapine; |
Density: | 1.467 g/cm3 |
Melting Point: | 234 °C |
Boiling Point: | 435.961 °C at 760 mmHg |
Flash Point: | 217.462 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 125.95000 |
LogP: | 1.52370 |
What can I do for you?
Get Best Price
The 3-Amino-Pyridine-2-Carboxaldehyde, with the CAS registry number 143621-35-6, has the systematic name of (2E)-2-[(3-aminopyridin-2-yl)methylidene]hydrazinecarbothioamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H9N5S.
The characteristics of 3-Amino-Pyridine-2-Carboxaldehyde are as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 49; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 121.41 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 52.571 cm3; (15)Molar Volume: 133.113 cm3; (16)Polarizability: 20.841×10-24cm3; (17)Surface Tension: 61.14 dyne/cm; (18)Density: 1.467 g/cm3; (19)Flash Point: 217.462 °C; (20)Enthalpy of Vaporization: 69.233 kJ/mol; (21)Boiling Point: 435.961 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(N\N=C\c1ncccc1N)N
(2)InChI: InChI=1/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
(3)InChIKey: XMYKNCNAZKMVQN-NYYWCZLTBO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD | intravenous | > 10mg/kg (10mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | International Journal of Toxicology. Vol. 19, Pg. 85, 2000. |
rat | LDLo | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | International Journal of Toxicology. Vol. 19, Pg. 85, 2000. |