AG0029RP

20493-60-1 | Isothiazole, 5-bromo-3-methyl-

AG0029RP

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CAS Number	20493-60-1
Catalog Number	AG0029RP(AGN-PC-0JTL94)
Chemical Name	Isothiazole, 5-bromo-3-methyl-
IUPAC Name	5-bromo-3-methyl-1,2-thiazole
InChI	InChI=1S/C4H4BrNS/c1-3-2-4(5)7-6-3/h2H,1H3
InChI Key	XSVSPKKXQGNHMD-UHFFFAOYSA-N
MDL Number	MFCD01318949
Molecular Formula	C4H4BrNS
Molecular Weight	178.0503
SMILES	CC1=NSC(Br)=C1
Synonyms	5-Bromo-3-methylisothiazole, 20493-60-1, 5-Bromo-3-methyl-isothiazole, 5-bromo-3-methyl-1,2-thiazole, Isothiazole, 5-bromo-3-methyl-, XSVSPKKXQGNHMD-UHFFFAOYSA-N, AC1LCIRA, PubChem22268, SCHEMBL2028343, CTK4E4352, DTXSID70344988, 5-bromanyl-3-methyl-1,2-thiazole, KS-00003H2H, 0520AB, ANW-44932, MFCD01318949, RW3462, SBB089357, ZINC15042087, AKOS006282032, AS-5512, QC-2081, RP23922, 5-bromo-3-methyl-isothiazole, AldrichCPR, AJ-67136, BC004779, BR-34026, CJ-15068, FS000660, SC-48595, AB0002053, DB-006982, TC-030908, BB 0256879, FT-0080816, FT-0650962, ST24032948, K-5975, A814605, J-013357, J-517037, I14-15705, C4H4BrNS, CID600959, RW1552, ACN-044843,

Complexity	68.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.925g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.047g/mol
Monoisotopic Mass	176.925g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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