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6087-35-0

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Basic Information
CAS No.: 6087-35-0
Name: 6-AMINO-4-IMINO-4H-1,3,5-THIADIAZINE-2-THIOL
Article Data: 6
Molecular Structure:
Molecular Structure of 6087-35-0 (6-AMINO-4-IMINO-4H-1,3,5-THIADIAZINE-2-THIOL)
Formula: C3H4N4S2
Molecular Weight: 160.224
Synonyms: NSC 8148;
Density: 2.04 g/cm3
Melting Point: 360 °C
Boiling Point: 335.7 °C at 760 mmHg
Flash Point: 156.8 °C
PSA: 138.15000
LogP: 1.59440
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Specification

This chemical is called 2H-1,3,5-Thiadiazine-2-thione, 4,6-diamino-, and its systematic name is 4,6-diamino-2H-1,3,5-thiadiazine-2-thione. With the molecular formula of C3H4N4S2, its molecular weight is 160.22. The CAS registry number of this chemical is 6087-35-0.

Other characteristics of the 2H-1,3,5-Thiadiazine-2-thione, 4,6-diamino- can be summarised as followings: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 2.95; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 88.59 Å2; (13)Index of Refraction: 1.99; (14)Molar Refractivity: 38.89 cm3; (15)Molar Volume: 78.2 cm3; (16)Polarizability: 15.41×10-24cm3; (17)Surface Tension: 100 dyne/cm; (18)Density: 2.04 g/cm3; (19)Flash Point: 156.8 °C; (20)Enthalpy of Vaporization: 57.88 kJ/mol; (21)Boiling Point: 335.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C1/N=C(\N=C(/S1)N)N
2.InChI: InChI=1/C3H4N4S2/c4-1-6-2(5)9-3(8)7-1/h(H4,4,5,6,7,8)
3.InChIKey: WNRBYKQZZRSEDI-UHFFFAOYAK