AG0038D0

1044145-59-6 | (4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol

AG0038D0

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CAS Number	1044145-59-6
Catalog Number	AG0038D0(AGN-PC-0CWIST)
Chemical Name	(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
IUPAC Name	(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
InChI	InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3
InChI Key	ADJUHOQFENGHSW-UHFFFAOYSA-N
MDL Number	MFCD11858523
Molecular Formula	C6H7ClN2OS
Molecular Weight	190.6506
SMILES	ClC1=NC(=NC=C1CO)SC
Synonyms	(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol, 1044145-59-6, (4-CHLORO-2-METHYLSULFANYL-PYRIMIDIN-5-YL)-METHANOL, [4-Chloro-2-(methylsulfanyl)pyrimidin-5-yl]methanol, [4-Chloro-2-(methylthio)pyrimidin-5-yl]methanol, SCHEMBL1355444, CTK8B8340, DTXSID10731939, ADJUHOQFENGHSW-UHFFFAOYSA-N, 0994AA, ANW-60184, MFCD11858523, ZINC82048525, AKOS016004510, PB13454, QC-1825, KS-0000042T, AS-50847, AJ-124742, DB-059134, TC-148929, CS-0052982, FT-0764371, Z-6389, 4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine, C6H7ClN2OS,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.997g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.645g/mol
Monoisotopic Mass	189.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	71.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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