AG003U7I

41840-28-2 | O-tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate

AG003U7I

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CAS Number	41840-28-2
Catalog Number	AG003U7I(AGN-PC-0WAF10)
Chemical Name	O-tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate
EC Number	255-562-1
IUPAC Name	tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
InChI	InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3
InChI Key	POTDIELOEHTPJN-UHFFFAOYSA-N
MDL Number	MFCD00006080
Molecular Formula	C11H16N2O2S
Molecular Weight	240.3219
SMILES	CC1=CC(C)=NC(SC(OC(C)(C)C)=O)=N1
Synonyms	41840-28-2, s-Boc-2-mercapto-4,6-dimethylpyrimidine, CCRIS 2600, O-tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate, 2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine, Boc-S, 2-Boc-thio-4,6-dimethylpyrimidine, EINECS 255-562-1, tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate, tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) thiolcarbonate, POTDIELOEHTPJN-UHFFFAOYSA-N, MFCD00006080, tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate, Carbonothioic acid, O-(1,1-dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) ester, Thiocarbonic acid, O-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl)ester, tert-butyl (4,6-dimethylpyrimidin-2-ylthio)formate, Maybridge1_006865, AC1L3X3H, KSC496Q9L, ACMC-209u72, SCHEMBL1983023, CTK3J6895, HMS561A01, POTDIELOEHTPJN-UHFFFAOYSA-, ZINC86537, DTXSID90194644, KS-000010FK, 7687AH, ANW-43404, CCG-50872, SBB059685, AKOS015897258, MCULE-8114132655, RL03614, RTR-016479, HC210219, SC-07721, ZB003098, LS-188596, TL8006526, TR-016479, CS-0078710, FT-0639742, ST50825888, A25408, K-8762, 2-(t-butoxycarbonylthio)-4,6-dimethylpyrimidine, 4,6-dimethyl-2-tert-butoxycarbonylthiopyrimidine, BOC-S S-Boc-2-mercapto-4,6-dimethylpyrimidine, S-Boc-2-mercapto-4,6-dimethylpyrimidine, 98%, C-14412, J-506609, SR-01000640213-1, 2-(tert. butyloxycarbonylthio)-4,6-dimethylpyrimidine, 2-(tertiary-butoxycarbonylthio)-4,6-dimethylpyrimidine, S-t-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine, S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimdine, S-Tert.-butoxycarbonyl-2-mercapto-4,6-dimethylpyrimidine, t-Butyl-S-(4,6-dimethylpyrimidin-2-yl)thiol carbonate, tert-Butyl S-(4,6-dimethylpyrimidin-2-yl)thiocarbonate, tert-Butyl S-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate, O-tert-butyl S-4,6-dimethylpyrimidin-2-yl carbonothioate, O-tert-Butyl-S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate, S-tert-butyloxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine, o-(tert-Butyl) S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate #, 2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine [Boc Agent for Peptides Synthesis], THIOCARBONIC ACID, O-TERT-BUTYL S-(4,6-DIMETHYL-2-PYRIMIDINYL) ESTER, 2-BOC-Thio-4,6-dimethylpyrimidine;2-(Tert-butoxycarbonylthio)-4,6-dimethylpyrimidine;O-Tert-butyl-s-(4,6-dimethylpyrimidin-2-yl) thiolcarbonate;T-BOC-S-2-Mercapto-4,6-dimethylpyrimidine, InChI=1/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3, C11H16N2O2S, C11-H16-N2-O2-S, CID148428, B1089, tert-ButylS-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate, S-Boc-2-mercapto-4,6-dimethylpyrimidine, 98% - 25G 25g,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.093g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.321g/mol
Monoisotopic Mass	240.093g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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