AG001L5Z

148741-30-4 | (2E)-2-Cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide

AG001L5Z

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CAS Number	148741-30-4
Catalog Number	AG001L5Z(AGN-PC-0Q2BQW)
Chemical Name	(2E)-2-Cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide
IUPAC Name	(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide
InChI	InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChI Key	XRZYELWZLNAXGE-KPKJPENVSA-N
MDL Number	MFCD00236450
Molecular Formula	C18H24N2OS
Molecular Weight	316.4610
SMILES	N#C/C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N
Synonyms	2-propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4- hydroxyphenyl)-2-cyano-, (E)-, AG 879, AG-879, AG879, Tyrphostin AG 879, 148741-30-4, AG-879, AG 879, AG879, alpha-Cyano-(3,5-di-t-butyl-4-hydroxy)thiocinnamide, (E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide, MFCD00236450, C18H24N2OS, (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide, 2-Propenethioamide,3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-, (2E)-, tyrphostin AG879, Tyrphostin Ag-879, AC1NUPK6, AC1OASK2, BiomolKI_000028, Lopac-T-2067, BiomolKI2_000036, AC1NS44W, Lopac0_001175, BMK1-D4, BSPBio_001398, SCHEMBL607701, SCHEMBL607703, TYRPHOSTIN AG 879, tyrphostin-ag-879-ag-879, CHEMBL539947, GTPL4863, SCHEMBL3731617, BCBcMAP01_000075, CHEBI:93041, HMS1361F20, HMS1791F20, HMS1989F20, HMS3263L11, HMS3402F20, BCP08354, CS-D0050, EX-A1893, Tyrphostin AG 879 (AG 879), ZINC3871425, Tox21_501175, 2775AH, EI-258, s2816, AKOS024256594, CCG-100632, LP01175, SU-0879, Tyrphostin AG 879, 99% (HPLC), IDI1_033868, NCGC00016007-01, NCGC00016007-02, NCGC00016007-03, NCGC00016007-04, NCGC00016007-05, NCGC00016007-06, NCGC00016007-07, NCGC00094432-01, NCGC00094432-02, NCGC00094432-03, NCGC00094432-04, NCGC00094432-05, NCGC00261860-01, CJ-10991, HY-20878, B1544, EU-0101175, SW219152-1, T 2067, SR-01000076151, A1-01966, SR-01000076151-1, BRD-K59469039-001-03-1, BRD-K59469039-001-04-9, 2-CYANO-3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROP-2-ENETHIOAMIDE, (2E)-3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-2-propenethioamide, 2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, (E)-, 2-Propenethioamide, 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-, (2E)-, (Z)-3-amino-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile, 3-amino-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile, AG-879|||(E)-3-Amino-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile, CID5353385, CID5487525, CID6809654, C081020, |A-Cyano-(3,5-di-t-butyl-4-hydroxy)thiocinnamide, 2-propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4- hydroxyphenyl)-2-cyano-, (E)-, (E)-3-amino-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile,

Complexity	477
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	316.161g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	316.463g/mol
Monoisotopic Mass	316.161g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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