AG000ZLU

131707-24-9 | 1H-INDOLE-3-CARBOXYLIC ACID, 6-BROMO-5-HYDROXY-1-METHYL-2-[(PHENYLTHIO)METHYL]-, ETHYL ESTER

AG000ZLU

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	131707-24-9
Catalog Number	AG000ZLU(AGN-PC-0K2M9L)
Chemical Name	1H-INDOLE-3-CARBOXYLIC ACID, 6-BROMO-5-HYDROXY-1-METHYL-2-[(PHENYLTHIO)METHYL]-, ETHYL ESTER
EC Number	629-769-6
IUPAC Name	ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
InChI	InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3
InChI Key	DAFNNZWQTJQQAP-UHFFFAOYSA-N
MDL Number	MFCD00378136
Molecular Formula	C19H18BrNO3S
Molecular Weight	420.3201
SMILES	O=C(C1=C(CSC2=CC=CC=C2)N(C)C3=C1C=C(O)C(Br)=C3)OCC
Synonyms	131707-24-9, Ethyl 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-Indole-3-carboxylate, Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate, Si 5 (pharmaceutical), ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, AK102441, W-201056, Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)indole-3-carboxylate, SI 5, SI-5, ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate, 1H-Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, 1H-Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester, AC1LNTS9, ChemDiv1_011302, C19H18BrNO2S, Oprea1_682742, ARONIS24235, SCHEMBL4445035, CHEMBL4102199, NIOSH/NL5998090, CTK8B9165, HMS619B16, BBC/390, DTXSID20157186, DAFNNZWQTJQQAP-UHFFFAOYSA-N, ACT06260, BCP10623, KS-00000Q8Y, ZINC1062448, ZX-AS004598, 1-Methyl-2-phenylthiomethyl-3-ethoxycarbonyl-5-hydroxy-6-bromoindole, ANW-62130, MFCD00378136, SBB080701, STK024842, AKOS001740372, MCULE-3360542622, KS-0000470P, ACM131707249, AJ-24831, AN-32238, AS-11470, LS-82550, AX8233980, ST2406986, TR-004338, 4CH-019030, FT-0682976, NL59980900, TL80090956, M-1040, 707E249, SR-01000523199, I10-0723, SR-01000523199-1, A1956/0082271, 6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-phenylthiomethylindole, ethyl 6-bromo-5-hydroxy-1-methyl-2-phenylthiomethylindole-3-carboxylate, 6-Bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylic Acid Ethyl Ester, ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]indole-3-carboxylate, Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)-, ethyl ester, thioindole, C19H18BrNO3S, C19-H18-Br-N-O3-S, CID1252264, 3-O-a-D-Galactopyranosyl-D-galactopyranose,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	419.019g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	420.321g/mol
Monoisotopic Mass	419.019g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number