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90844-35-2

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Basic Information
CAS No.: 90844-35-2
Name: 3-AMINO-6-PHENYLTHIOPYRIDAZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 90844-35-2 (3-AMINO-6-PHENYLTHIOPYRIDAZINE)
Formula: C10H9N3S
Molecular Weight: 203.268
Synonyms: Pyridazine,3-amino-6-(phenylthio)- (6CI,7CI);3-Amino-6-(phenylthio)pyridazine;
EINECS: 200-001-2
Density: 1.323 g/cm3
Boiling Point: 476.267 °C at 760 mmHg
Flash Point: 241.838 °C
Hazard Symbols: IrritantXi
PSA: 77.10000
LogP: 2.79120
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Specification

The systematic name of 3-Amino-6-(phenylthio)pyridazine is 6-(phenylsulfanyl)pyridazin-3-amine. With the CAS registry number 90844-35-2, it is also named as 3-Pyridazinamine,6-(phenylthio)-. The product's molecular formula is C10H9N3S and its molecular weight is 203.26. 

The other characteristics of 3-Amino-6-(phenylthio)pyridazine can be summarized as: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 93; (7)ACD/KOC (pH 5.5): 404; (8)ACD/KOC (pH 7.4): 892; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.1 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 58.689 cm3; (15)Molar Volume: 153.675 cm3; (16)Polarizability: 23.266×10-24cm3; (17)Surface Tension: 72.8 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 241.838 °C; (20)Enthalpy of Vaporization: 73.995 kJ/mol; (21)Boiling Point: 476.267 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:S(c1ccccc1)c2nnc(N)cc2
(2)InChI:InChI=1/C10H9N3S/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12)
(3)InChIKey:ZVESEBXJNCNXPH-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C10H9N3S/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12)
(5)Std. InChIKey:ZVESEBXJNCNXPH-UHFFFAOYSA-N