Hydrazinecarbothioamide,N-(3-pyridinylmethyl)- supplier

Name
4-(3-PICOLYL)-3-THIOSEMICARBAZIDE
EINECS
CAS No. 76609-47-7
Article Data2
CAS DataBase
Density 1.285 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 4-(3-Picolyl)-3-thiosemicarbazide;
PSA 95.06000
LogP 1.40150

Hydrazinecarbothioamide,N-(3-pyridinylmethyl)- Specification

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^-24cm³; (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

Product Name

4-(3-PICOLYL)-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide,N-(3-pyridinylmethyl)- Specification

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