AG003MLX

3507-41-3 | Benzothiazole, 5-chloro-2-(methylthio)- (7CI,8CI,9CI)

AG003MLX

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CAS Number	3507-41-3
Catalog Number	AG003MLX(AGN-PC-0JU9QS)
Chemical Name	Benzothiazole, 5-chloro-2-(methylthio)- (7CI,8CI,9CI)
IUPAC Name	5-chloro-2-methylsulfanyl-1,3-benzothiazole
InChI	InChI=1S/C8H6ClNS2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3
InChI Key	YINRVZUJQJFNES-UHFFFAOYSA-N
MDL Number	MFCD00186100
Molecular Formula	C8H6ClNS2
Molecular Weight	215.7229
SMILES	CSC1=NC2=CC(Cl)=CC=C2S1
Synonyms	3507-41-3, 5-Chloro-2-(methylthio)benzothiazole, 5-Chloro-2-(methylthio)benzo[d]thiazole, 5-chloro-2-methylthiobenzothiazole, 5-chloro-2-methylsulfanyl-1,3-benzothiazole, 5-chloro-2-(methylsulfanyl)-1,3-benzothiazole, 5-Chloro-2-methylsulfanyl-benzothiazole, SMR000014109, MLS000074091, Benzothiazole, 5-chloro-2-(methylthio)-, 5-METHYLTHIO-5-CHLOROBENZOTHIAZOLE, ACMC-209ics, AC1LDC52, cid_645746, SCHEMBL1748171, CHEMBL1320703, BDBM89515, CTK8B1514, DTXSID70349413, YINRVZUJQJFNES-UHFFFAOYSA-N, HMS2381J10, ZINC118878, KS-000013II, 2-Methylthio-5-chloro-benzothiazole, 4295AB, ANW-28058, CCG-44512, MFCD00186100, STK366303, 5-chloro-2-methylsulfanylbenzothiazole, AKOS000667387, ACM3507413, FCH1316139, MCULE-1345900051, VT10234, AC-19508, AJ-11551, AK121961, BAS 06988531, AX8115912, TC-116803, 5-chloro-2-(methylthio)-1,3-benzothiazole, CS-0062043, ST50742450, 5-chloranyl-2-methylsulfanyl-1,3-benzothiazole, I09-1953, I09-3007, SR-01000616270-2, Z18552842, Not Available, C8H6ClNS2, 2-Methyl-5-chloro-benzothiazole, Benzothiazole,5-chloro-2- -, CID645746, C2111, Benzothiazole,5-chloro-2-(methylthio)-(7CI,8CI,9CI), Benzothiazole, 5-chloro-2-(methylthio)- (7CI,8CI,9CI), 1006-99-1,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.713g/mol
Monoisotopic Mass	214.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number