AG006URM

51618-30-5 | 6-Bromo-2-mercaptobenzothiazole

AG006URM

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CAS Number	51618-30-5
Catalog Number	AG006URM(AGN-PC-006RQA)
Chemical Name	6-Bromo-2-mercaptobenzothiazole
IUPAC Name	6-bromo-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C7H4BrNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key	KNFZKHAWHVYFFI-UHFFFAOYSA-N
MDL Number	MFCD09880848
Molecular Formula	C7H4BrNS2
Molecular Weight	246.1474
SMILES	S=C1SC2=CC(Br)=CC=C2N1
Synonyms	6-Bromo-2-mercaptobenzothiazole, 51618-30-5, 6-Bromobenzo[d]thiazole-2(3H)-thione, 6-bromobenzo[d]thiazole-2-thiol, 2(3H)-Benzothiazolethione, 6-bromo-, 6-bromo-3H-1,3-benzothiazole-2-thione, 6-bromo-2,3-dihydro-1,3-benzothiazole-2-thione, PubChem21819, ACMC-209kv1, 6-Bromobenzothiazole-2-thiol, KSC494S6F, SCHEMBL1849649, CTK3J4962, KS-00000FDI, DTXSID80462349, KNFZKHAWHVYFFI-UHFFFAOYSA-N, EBD52920, ANW-31307, FC0638, MFCD09880848, ZINC26443970, 6-BROMO-BENZOTHIAZOLE-2-THIOL, AKOS015835943, AKOS016004915, CB-2093, DS-2466, FCH1394947, RTR-018381, ACM51618305, AK105878, AN-41176, BC004671, 2-MERCAPTO-6-BROMOBENZO[D]THIAZOLE, 6-bromanyl-3H-1,3-benzothiazole-2-thione, 6-BROMO-1,3-BENZOTHIAZOLE-2-THIOL, AB0003270, AB0069158, AX8108385, DB-029227, TR-018381, 4CH-006806, FT-0656582, ST24029689, W6647, M-8793, 618B305, A828687, I10-0454, 2-Mercapto-6-bromobenzothiazole; 6-Bromo-2(3H)-benzothiazolethione, C7H4BrNS2, 6-bromo-3H-benzothiazole-2-thione, CID11322553, N/A, 53218-26-1,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.897g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.14g/mol
Monoisotopic Mass	244.897g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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

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