AG00CL8J

365996-04-9 | tert-butyl 3-Mercaptopyridin-4-ylcarbaMate

AG00CL8J

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CAS Number	365996-04-9
Catalog Number	AG00CL8J(AGN-PC-03WY4A)
Chemical Name	tert-butyl 3-Mercaptopyridin-4-ylcarbaMate
IUPAC Name	tert-butyl N-(3-sulfanylpyridin-4-yl)carbamate
InChI	InChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-7-4-5-11-6-8(7)15/h4-6,15H,1-3H3,(H,11,12,13)
InChI Key	MKRKOWOVJQNWSY-UHFFFAOYSA-N
MDL Number	MFCD21648454
Molecular Formula	C10H14N2O2S
Molecular Weight	226.2954
SMILES	CC(C)(C)OC(=O)NC1=C(S)C=NC=C1
Synonyms	tert-Butyl (3-mercaptopyridin-4-yl)carbamate, 365996-04-9, tert-butyl 3-mercaptopyridin-4-ylcarbamate, SCHEMBL741240, TERT-BUTYL N-(3-SULFANYLPYRIDIN-4-YL)CARBAMATE, CTK1B6223, DTXSID90629082, MKRKOWOVJQNWSY-UHFFFAOYSA-N, 4649AB, ANW-62124, MFCD21648454, ZINC79052336, AKOS016004811, DS-3844, FCH1631414, AC-27076, AK102447, AX8233986, TC-150869, tert-Butyl (3-sulfanylpyridin-4-yl)carbamate, 4-[(tert-Butoxycarbonyl)amino]-3-mercaptopyridine, Carbamic acid, (3-mercapto-4-pyridinyl)-, 1,1-dimethylethyl ester, C10H14N2O2S, tert-Butyl(3-mercaptopyridin-4-yl)carbamate,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.078g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.294g/mol
Monoisotopic Mass	226.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

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