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2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

Catalog No: FT-0677426

CAS No: 67831-83-8

Chemical Name: 2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
Molecular Formula: C7H7N3OS
Molecular Weight: 181.22
InChI Key: YLZXOIATWSHVDK-UHFFFAOYSA-N
InChI: InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	2-(Methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
Flash_Point:	251.2±29.6 °C
Melting_Point:	296-298ºC
FW:	181.215
Density:	1.5±0.1 g/cm3
CAS:	67831-83-8
Bolling_Point:	491.8±48.0 °C at 760 mmHg
MF:	C7H7N3OS

Molecular_Structure:	['1 . Molar refractive index 4799 ', '2 . Molar volume 1171 ', '3 . Parachor （902K）3686 ', '4 . Surface tension 981 ', '5 . Polarizability 1902']
LogP:	0.73
Flash_Point:	251.2±29.6 °C
Refractive_Index:	1.756
FW:	181.215
Density:	1.5±0.1 g/cm3
Bolling_Point:	491.8±48.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 826 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	296-298ºC
PSA:	87.10000
MF:	C7H7N3OS
More_Info:	['1. Melting point（760 mmHg,ºC）296-298']
Vapor_Pressure:	0.0±1.3 mmHg at 25°C
Exact_Mass:	181.030975