AG00348T

61727-33-1 | 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

AG00348T

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CAS Number	61727-33-1
Catalog Number	AG00348T(AGN-PC-0JVIDE)
Chemical Name	5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
IUPAC Name	5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key	SEPCYCDQJZTPHO-UHFFFAOYSA-N
MDL Number	MFCD00173907
Molecular Formula	C6H5ClN2O2S
Molecular Weight	204.6341
SMILES	ClC=1C(=NC(=NC1)SC)C(=O)O
Synonyms	5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid, 61727-33-1, 4-pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)-, 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 5-Chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid, 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid, 5-chloro-2-methylthiopyrimidine-4-carboxylic acid, zlchem 91, ZERO/005155, Oleosol Fast Red BL, Oleosol Fast Red GL, Orient Red 3320, PubChem13050, ACMC-209mvs, AC1LDUV9, AC1Q3PNW, Maybridge1_002267, Vali Fast Red 3320, 4-Carboxy-5-chloro-2-(methylthio)pyrimidine, AC1Q4H3C, KSC352Q5J, MLS000551292, SCHEMBL1533879, CHEMBL1416114, CTK2F2854, HMS547P01, KS-00000CHF, DTXSID10352401, ZLB0080, SEPCYCDQJZTPHO-UHFFFAOYSA-N, HMS2171M16, HMS3318F17, ZINC133171, ACT04489, EBD25258, ANW-33926, CCG-50437, MFCD00173907, SBB013191, STK702749, AKOS000268385, AC-7352, AN-9099, CC-1595, CS-W002473, MCULE-8601847811, PS-4957, RP04491, RTC-063402, TRA0096000, VP50283, AJ-12171, AK-27138, BR-27138, HC210127, SC-17093, SMR000145218, SY005865, U907, AB0007027, AB1000615, DB-008983, ST2411926, ST4105049, TC-063402, TL8003933, 4CH-013506, AM20100511, BB 0258216, FT-0082566, FT-0600991, EN300-25395, M-2176, MFCD00173907 (95+%), 4-Carboxy-5-chloropyrimidin-2-yl methyl sulphide, 727C331, A833396, 2-(Methylthio)-5-chloropyrimidine-4-carboxylic acid, 5-Chloro-2-methylthio-4-pyrimidine carboxylic acid, I03-0076, J-517282, SR-01000639814-1, 4-Pyrimidinecarboxylicacid, 5-chloro-2-(methylthio)-, 5-Chloro-2-(methylthio)pyrimidine-4 -carboxylic acid, 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid, BRD-K16960866-001-08-8, 5-Chloro-2-(methylsulphanyl)pyrimidine-4-carboxylic acid, 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid, 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACI, 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid, 95%, Oleosol Fast Red BL; Oleosol Fast Red GL; Orient Red 3320; Vali Fast Red 3320, null, C6H5ClN2O2S, AR-1G4552, CID725711, 5-Chloro-2- pyrimidine-4-carboxylicacid, C2549, 5-chloro-2-(methylthio)pyrimidine-4-carboxylicacid, 1161362-35-1, 621-83-0,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.976g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.628g/mol
Monoisotopic Mass	203.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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