AG00C1T4

2182-73-2 | 2(3H)-Benzothiazolethione,6-methoxy-(9CI)

AG00C1T4

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CAS Number	2182-73-2
Catalog Number	AG00C1T4(AGN-PC-008DEP)
Chemical Name	2(3H)-Benzothiazolethione,6-methoxy-(9CI)
IUPAC Name	6-methoxy-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H7NOS2/c1-10-5-2-3-6-7(4-5)12-8(11)9-6/h2-4H,1H3,(H,9,11)
InChI Key	WBKYNVBTKLKJBG-UHFFFAOYSA-N
MDL Number	MFCD22003314
Molecular Formula	C8H7NOS2
Molecular Weight	197.2773
SMILES	S=C1SC2=CC(OC)=CC=C2N1
Synonyms	2182-73-2, 6-Methoxybenzo[d]thiazole-2(3H)-thione, 2-MERCAPTO-6-METHOXYBENZOTHIAZOLE, 6-methoxy-2-mercaptobenzothiazole, 6-Methoxybenzo[d]thiazole-2-thiol, 2(3H)-Benzothiazolethione,6-methoxy-(9CI), KSC200S5L, SCHEMBL5923359, SCHEMBL11473420, CTK1A0955, DTXSID70464711, 6-methoxy-2-mercaptobenzthiazole;, 2-Mercapto-6-methoxy-benzothiazol, 2-mercapto-6-methoxybenzothiazole;, 6-methoxy-2-mercaptobenzothiazole;, KS-00000PO1, 1062AB, EBD299434, MFCD22003314, ZINC45238197, 6-methoxy-1,3-benzothiazole-2-thiol, 6-methoxy-3H-benzothiazole-2-thione;, AKOS016011313, ACM2182732, DS-4626, FCH1146795, 6-methoxy-1,3-benzothiazole-2-thiol;, AK110513, AN-50508, 6-methoxy-3H-1,3-benzothiazole-2-thione, AX8225172, 4CH-022185, 6-Methoxy-1,3-benzothiazole-2(3H)-thione, ST24045461, 182M732, 6-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione, C8H7NOS2, 2 -Benzothiazolethione,6-methoxy-, 6-methoxy-3H-benzothiazole-2-thione, CID11401345, 2(3H)-Benzothiazolethione, 6-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	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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