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Name |
Hydrazinecarbothioamide,N-(3-pyridinylmethyl)- |
EINECS | N/A |
CAS No. | 76609-47-7 | Density | 1.285 g/cm3 |
PSA | 95.06000 | LogP | 1.40150 |
Solubility | N/A | Melting Point |
171 °C |
Formula | C7H10N4S | Boiling Point | 354.7 °C at 760 mmHg |
Molecular Weight | 182.249 | Flash Point | 168.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-(3-Picolyl)-3-thiosemicarbazide; |
Article Data | 2 |
The Hydrazinecarbothioamide,N-(3-pyridinylmethyl)-, with the CAS registry number 76609-47-7, is also known as 4-(3-Picolyl)-3-thiosemicarbazide. This chemical's molecular formula is C7H10N4S and molecular weight is 182.25. What's more, its IUPAC name is 1-Amino-3-(pyridin-3-ylmethyl)thiourea.
Physical properties about Hydrazinecarbothioamide,N-(3-pyridinylmethyl)- are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10.62; (6)ACD/KOC (pH 7.4): 12.11; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 54.7 Å2; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 51.9 cm3; (13)Molar Volume: 141.7 cm3; (14)Polarizability: 20.57×10-24 cm3; (15)Surface Tension: 69.6 dyne/cm; (16)Density: 1.285 g/cm3; (17)Flash Point: 168.3 °C; (18)Enthalpy of Vaporization: 59.98 kJ/mol; (19)Boiling Point: 354.7 °C at 760 mmHg; (20)Vapour Pressure: 3.29E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NCc1cccnc1)NN
(2)InChI: InChI=1/C7H10N4S/c8-11-7(12)10-5-6-2-1-3-9-4-6/h1-4H,5,8H2,(H2,10,11,12)
(3)InChIKey: APBGERKKEPNJPX-UHFFFAOYAL