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CAS No.: | 40106-45-4 |
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Name: | 4-HYDRAZINO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C10H12N4S |
Molecular Weight: | 220.298 |
Synonyms: | [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-,hydrazone (9CI);(5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine;4-hydrazinyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine;4-hydrazinyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine;5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylhydrazine;5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine-4-ylhydrazine; |
Density: | 1.44 g/cm3 |
Melting Point: | 202-203 °C(Solv: 1,4-dioxane (123-91-1)) |
Boiling Point: | 475.3 °C at 760 mmHg |
Flash Point: | 241.2 °C |
PSA: | 92.07000 |
LogP: | 2.62900 |
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The [1]Benzothieno[2,3-d]pyrimidine,4-hydrazinyl-5,6,7,8-tetrahydro-, with the CAS registry number 40106-45-4, is also known as (5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine. This chemical's molecular formula is C10H12N4S and molecular weight is 220.29. What's more, its systematic name is 4-hydrazinyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine.
Physical properties of [1]Benzothieno[2,3-d]pyrimidine,4-hydrazinyl-5,6,7,8-tetrahydro- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 173.5; (6)ACD/BCF (pH 7.4): 299.64; (7)ACD/KOC (pH 5.5): 1190.96; (8)ACD/KOC (pH 7.4): 2056.84; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.5 Å2; (13)Index of Refraction: 1.776; (14)Molar Refractivity: 63.96 cm3; (15)Molar Volume: 152.9 cm3; (16)Polarizability: 25.35×10-24 cm3; (17)Surface Tension: 79.7 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 241.2 °C; (20)Enthalpy of Vaporization: 73.88 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: n2c1sc3c(c1c(nc2)NN)CCCC3
(2)InChI: InChI=1/C10H12N4S/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9/h5H,1-4,11H2,(H,12,13,14)
(3)InChIKey: RLYKRTXCPRRQST-UHFFFAOYAI