CAS No.588-36-3,(4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	588-36-3
Name:	(4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL
Article Data:	37

Formula:	C₆H₉N₃OS
Molecular Weight:	171.223
Synonyms:	(4-Amino-2-methanethiopyrimidin-5-yl)methanol;2-Methylmercapto-4-amino-5-hydroxymethylpyrimidine;2-Methylthio-4-amino-5-(hydroxymethyl)pyrimidine;4-Amino-2-methylmercapto-5-pyrimidinemethanol;4-Amino-2-methylthio-5-pyrimidinemethanol;4-Amino-5-hydroxymethyl-2-methylthiopyrimidine;NSC 3431;NSC43811;[4-Amino-2-(methylthio)pyrimidin-5-yl]methanol;(4-amino-2-(methylthio)pyrimidin-5-yl)methanol;
Density:	1.38 g/cm³
Melting Point:	126-127°
Boiling Point:	408.6 °C at 760 mmHg
Flash Point:	200.9 °C
PSA:	97.33000
LogP:	0.85420

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Specification

This chemical is called 5-Pyrimidinemethanol,4-amino-2-(methylthio)-, and it can also be named as 4-Amino-2-methylthio-5-pyrimidinemethanol. With the molecular formula of C₆H₉N₃OS, its molecular weight is 171.22. The CAS registry number of this chemical is 588-36-3.

Other characteristics of the 5-Pyrimidinemethanol,4-amino-2-(methylthio)- can be summarised as followings: (1)ACD/LogP: -1.46; (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): 3.27; (6)ACD/KOC (pH 7.4): 3.84; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.55 Å²; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 44.76 cm³; (13)Molar Volume: 123.2 cm³; (14)Polarizability: 17.74×10^-24cm³; (15)Surface Tension: 81.6 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 200.9 °C; (18)Enthalpy of Vaporization: 69.66 kJ/mol; (19)Boiling Point: 408.6 °C at 760 mmHg; (20)Vapour Pressure: 2.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S(c1nc(N)c(cn1)CO)C
2.InChI: InChI=1/C6H9N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
3.InChIKey: XLVOWGDFXAVSFE-UHFFFAOYAB