AG003MU7

55690-60-3 | 5-Methoxybenzo[d]thiazole-2-thiol

AG003MU7

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CAS Number	55690-60-3
Catalog Number	AG003MU7(AGN-PC-0KLUIB)
Chemical Name	5-Methoxybenzo[d]thiazole-2-thiol
EC Number	259-755-1
IUPAC Name	5-methoxy-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)
InChI Key	JDPITNFDYXOKRM-UHFFFAOYSA-N
MDL Number	MFCD00185941
Molecular Formula	C8H7NOS2
Molecular Weight	197.2773
SMILES	S=C2SC1=CC=C(OC)C=C1N2
Synonyms	55690-60-3, 5-Methoxybenzo[d]thiazole-2-thiol, 2-Mercapto-5-methoxybenzothiazole, 5-Methoxybenzothiazole-2-thiol, 5-methoxy-1,3-benzothiazole-2-thiol, 5-Methoxybenzothiazole-2(3H)-thione, 5-Methoxybenzo[d]thiazole-2(3H)-thione, 5-methoxy-2-benzothiazolethiol, 5-methoxy-2-mercaptobenzothiazole, 2-mercapto-5-methoxy-benzothiazole, 5-methoxy-3H-1,3-benzothiazole-2-thione, MFCD00185941, EINECS 259-755-1, ACMC-209loj, AC1MD4CS, CBDivE_001837, SCHEMBL778048, 2-Mercapto5-methoxybenzothiazole, CTK3J5903, DTXSID40204222, 2-benzothiazolethiol, 5-methoxy-, JDPITNFDYXOKRM-UHFFFAOYSA-N, ZINC175230, 2-mercapto-5-methoxy benzothiazole, ALBB-014675, KS-00000HH3, ZX-AN013387, 8132AB, ANW-32369, BBL015766, STK396445, AKOS005174770, FCH1118878, MCULE-8933815079, AK-35637, AN-40272, DS-12714, SC-96297, AB0179445, AX8158782, RT-002765, CS-0042731, FT-0612747, M1277, R2494, ST24029507, ST50825419, 690M603, SR-01000391410, SR-01000391410-1, I01-14629, C8H7NOS2, C8-H7-N-O-S2, ZINC00175230, CID2830679, 2(3H)-Benzothiazolethione, 5-methoxy-, 2(3H)-Benzothiazolethione, 5-methoxy- (9CI), N/A,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.997g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.27g/mol
Monoisotopic Mass	196.997g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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