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CAS No.: | 14080-58-1 |
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Name: | 4-HYDRAZINOTHIENO[2,3-D]PYRIMIDINE |
Molecular Structure: | |
Formula: | C6H6N4S |
Molecular Weight: | 166.206 |
Synonyms: | Thieno[2,3-d]pyrimidin-4(1H)-one,hydrazone (9CI);Thieno[2,3-d]pyrimidine, 4-hydrazino- (8CI);4-Hydrazinothieno[2,3-d]pyrimidine; |
Density: | 1.566 g/cm3 |
Melting Point: | 222-225 °C |
Boiling Point: | 408 °C at 760 mmHg |
Flash Point: | 200.5 °C |
Risk Codes: | Harmful:; "> Harmful:; |
PSA: | 92.07000 |
LogP: | 1.75020 |
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The Thieno[2,3-d]pyrimidine,4-hydrazinyl-, with the CAS registry number 14080-58-1, is also known as 4-Hydrazinothieno[2,3-d]pyrimidine. This chemical's molecular formula is C6H6N4S and molecular weight is 166.20364. Its IUPAC name is called thieno[2,3-d]pyrimidin-4-ylhydrazine.
Physical properties of Thieno[2,3-d]pyrimidine,4-hydrazinyl-: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 13.72; (5)ACD/BCF (pH 7.4): 15.8; (6)ACD/KOC (pH 5.5): 217.85; (7)ACD/KOC (pH 7.4): 250.86; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.844; (12)Molar Refractivity: 47.17 cm3; (13)Molar Volume: 106.1 cm3; (14)Surface Tension: 94.3 dyne/cm; (15)Density: 1.566 g/cm3; (16)Flash Point: 200.5 °C; (17)Enthalpy of Vaporization: 65.99 kJ/mol; (18)Boiling Point: 408 °C at 760 mmHg; (19)Vapour Pressure: 7.26E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC2=NC=NC(=C21)NN
(2)InChI: InChI=1S/C6H6N4S/c7-10-5-4-1-2-11-6(4)9-3-8-5/h1-3H,7H2,(H,8,9,10)
(3)InChIKey: PKZQIIZQFUXJNW-UHFFFAOYSA-N