AG006IUN

67831-83-8 | 2-METHYLSULFANYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL

AG006IUN

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CAS Number	67831-83-8
Catalog Number	AG006IUN(AGN-PC-0JP2DJ)
Chemical Name	2-METHYLSULFANYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL
IUPAC Name	2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
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)
InChI Key	YLZXOIATWSHVDK-UHFFFAOYSA-N
MDL Number	MFCD02668244
Molecular Formula	C7H7N3OS
Molecular Weight	181.2150
SMILES	CSC1=NC2=C(C=CN2)C(O)=N1
Synonyms	2-(Methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 67831-83-8, 2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 4-hydroxy-2-(methylthio)-7h-pyrrolo[2,3-d]pyrimidine, YLZXOIATWSHVDK-UHFFFAOYSA-N, NSC673094, 1201784-89-5, 2-methylsulphanyl-7h-pyrrolo[2,3-d]pyrimidin-4-ol, 2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 2-(methylthio)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, 4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-2-(methylthio)-, 154819-41-7, 2-METHYLSULFANYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-OL, NSC124161, PubChem17826, AC1L5JR3, SCHEMBL161735, 7h-pyrrolo[2,3-d]pyrimidin-4-ol, 2-(methylthio)-, AC1Q6I78, CTK5C6759, ZX-AT003307, ANW-55925, BP-20052B, MFCD02668244, SBB089810, AKOS005259899, AKOS022177911, ZINC100000558, FCH1122508, MCULE-4713693479, NSC-124161, NSC-673094, OR17056, PS-3282, PS-3939, RP24171, RP24250, KS-00000I10, AJ-70494, AK-50802, BP-20052, 2-methylthiopyrrolo[2,3-d]pyrimidin-4-ol, DB-073936, ST2404047, TR-039440, 4CH-017378, FT-0677426, X7290, Z-0476, I03-1280, J-506494, J-510106, 2-(methylsulfanyl)-3H,7H-pyrrolo[2,3-d]pyrimidin-4-one, 2-methylsulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 3,4-Dihydro-2-[methylthio]-4H-pyrrolo[2,3-d]pyrimidin-4-one, 2-(Methylthio)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, AldrichCPR, 3,7-Dihydro-2-(methylsulphanyl)-4H-pyrrolo[2,3-d]pyrimidin-4-one, 2-(Methylsulfanyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one #, 4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-amino-1-(2-deoxypentofuranosyl)-1,5-dihydro-3-iodo-, 6-amino-1-(2-deoxypentofuranosyl)-3-iodo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, InChI=1/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11, C7H7N3OS, AR-1H3562, CID276402, 2-(methylthio)-4aH-pyrrolo[2,3-d]pyrimidin-4(7H)-one, 2-chloro-N-[1-(2-chlorobenzyl)-1H-pyrazol-5-yl]acetamide, 3,7-Dihydro-2-(methylthio)-4H-pyrrolo[2,3-d]pyrimidin-4-one, 2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 97% - 1G 1g, 154757-99-0, 68039-43-0,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.213g/mol
Monoisotopic Mass	181.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number