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37154-85-1

Basic Information
CAS No.: 37154-85-1
Name: 9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-
Molecular Structure:
Molecular Structure of 37154-85-1 (9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-)
Formula: C10H13N5S
Molecular Weight: 235.31
Synonyms: 6-(Methylthio)-9-pyrrolidin-1-yl-9H-purine;NSC 125076;6-(Methylsulfanyl)-9-(pyrrolidin-1-yl)-9H-purine;
EINECS:
Density: 1.49 g/cm3
Melting Point:
Boiling Point: 429.3 °C at760 mmHg
Flash Point: 213.4 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
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    37154-85-1

    9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-

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  • 9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-

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  • 9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)- cas  37154-85-1

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    9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)- cas 37154-85-1

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    9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)- cas 37154-85-1Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    5-(PHOSPHONOOXY)-L-LYSINE

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Specification

The 9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)-, with the CAS registry number 37154-85-1, is also known as 6-(Methylthio)-9-pyrrolidin-1-yl-9H-purine. This chemical's molecular formula is C10H13N5S and molecular weight is 235.31. What's more, its systematic name is 6-(Methylsulfanyl)-9-(pyrrolidin-1-yl)-9H-purine.

Physical properties of 9H-Purine,6-(methylthio)-9-(1-pyrrolidinyl)- are: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 72.14 Å2; (7)Index of Refraction: 1.774; (8)Molar Refractivity: 65.68 cm3; (9)Molar Volume: 157.4 cm3; (10)Polarizability: 26.03×10-24 cm3; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.49 g/cm3; (13)Flash Point: 213.4 °C; (14)Enthalpy of Vaporization: 68.45 kJ/mol; (15)Boiling Point: 429.3 °C at 760 mmHg; (16)Vapour Pressure: 1.42E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(ncnc1SC)n(c2)N3CCCC3
(2)InChI: InChI=1S/C10H13N5S/c1-16-10-8-9(11-6-12-10)15(7-13-8)14-4-2-3-5-14/h6-7H,2-5H2,1H3
(3)InChIKey: YBIPPVCMDIYGFR-UHFFFAOYSA-N