AG005PC7

771-81-3 | 4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid

AG005PC7

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CAS Number	771-81-3
Catalog Number	AG005PC7(AGN-PC-03KWBV)
Chemical Name	4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid
IUPAC Name	4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)(H2,7,8,9)
InChI Key	AOBVZYNKWONVRH-UHFFFAOYSA-N
MDL Number	MFCD00186102
Molecular Formula	C6H7N3O2S
Molecular Weight	185.2037
SMILES	O=C(C1=CN=C(SC)N=C1N)O
Synonyms	4-amino-2-(methylthio)pyrimidine-5-carboxylic acid, 771-81-3, 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid, AK127918, 4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid, 4-amino-2-methylthiopyrimidine-5-carboxylic acid, SCHEMBL3084614, CTK2G6781, DTXSID60622722, AOBVZYNKWONVRH-UHFFFAOYSA-N, BB_SC-08072, KS-00000RC3, BBL028358, FCH832794, MFCD00186102, SBB017486, STK946254, ZINC12371920, AKOS002675902, DS-5614, MCULE-9457582916, AJ-61928, OR315308, ST078485, AX8249709, ST2405517, 4CH-017294, CS-0042856, 4-Amino-2-methylmercaptopyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, Z478193362,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.201g/mol
Monoisotopic Mass	185.026g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	114A^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

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