AG00385C

24340-77-0 | 4-Bromoisothiazole

AG00385C

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CAS Number	24340-77-0
Catalog Number	AG00385C(AGN-PC-0LOCI2)
Chemical Name	4-Bromoisothiazole
IUPAC Name	4-bromo-1,2-thiazole
InChI	InChI=1S/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H
InChI Key	XAGKUQWKQVTDSK-UHFFFAOYSA-N
MDL Number	MFCD06657593
Molecular Formula	C3H2BrNS
Molecular Weight	164.0237
SMILES	BrC=1C=NSC1
Synonyms	4-BROMOISOTHIAZOLE, 24340-77-0, 4-bromo-Isothiazole, 4-bromo-1,2-thiazole, Isothiazole, 4-bromo-, ZERO/004872, Isothiazole,4-bromo-, PubChem12057, AC1NP9FB, ACMC-209gb1, SCHEMBL671507, CTK1A1691, DTXSID20409450, XAGKUQWKQVTDSK-UHFFFAOYSA-N, ALBB-028771, BCP09718, ZINC4344132, ANW-25403, CB0230, MFCD06657593, SBB013032, STK785942, AKOS005621106, AB25618, ACN-025417, CB-1925, MCULE-2285235944, RP22668, AJ-50737, AK-29054, BC003630, BR-29054, DS-10962, SC-65364, ST091799, AB0023677, DB-011311, TC-020352, 4CH-002989, AM20090270, CS-0012647, FT-0604342, ST24026547, W4788, A18514, S-6893, 340B770, I09-1779, J-514824, A4136/0176358, C3H2BrNS, CID5200358, (S)-2-Amino-3-(3,5-difluorophenyl)propanoic acid, 31105-91-6,

Complexity	50.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.909g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.02g/mol
Monoisotopic Mass	162.909g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number