1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)propan-2-ol

1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)propan-2-ol

CAS: 866017-68-7

Formula: C8H7F3N4OS

SMILES: OC(CSC1=C2N=CNC2=NC=N1)C(F)(F)F

IUPAC: 1,1,1-trifluoro-3-(9H-purin-6-ylsulfanyl)propan-2-ol

InChI: InChI=1/C8H7F3N4OS/c9-8(10,11)4(16)1-17-7-5-6(13-2-12-5)14-3-15-7/h2-4,16H,1H2,(H,12,13,14,15)

Composition: C (36.37%), H (2.67%), F (21.57%), N (21.20%), O (6.06%), S (12.13%)

Molar Mass: 264.23

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	264.029266524
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QBHPMFUSBNXYRO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.27
Topological Polar Surface Area	74.69
Polarizability	20.94
Ring Count	2
Rotatable Bond Count	4

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