AG003F3J

51769-43-8 | 2-(Methylthio)-beta-naphthothiazole

AG003F3J

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CAS Number	51769-43-8
Catalog Number	AG003F3J(AGN-PC-0SB5N3)
Chemical Name	2-(Methylthio)-beta-naphthothiazole
IUPAC Name	2-methylsulfanylbenzo[e][1,3]benzothiazole
InChI	InChI=1S/C12H9NS2/c1-14-12-13-11-9-5-3-2-4-8(9)6-7-10(11)15-12/h2-7H,1H3
InChI Key	NCJSBVUUUHBCQS-UHFFFAOYSA-N
MDL Number	MFCD00600616
Molecular Formula	C12H9NS2
Molecular Weight	231.3366
SMILES	CSC1=NC2=C(S1)C=CC1=C2C=CC=C1
Synonyms	51769-43-8, 2-(Methylthio)-beta-naphthothiazole, 2-(Methylthio)naphtho[1,2-d]thiazole, naphtho[1,2-d]thiazole, 2-(methylthio)-, 2-methylsulfanylbenzo[e][1,3]benzothiazole, Naphtho(1,2-d)thiazole, 2-(methylthio)-, C12H9NS2, 2-(Methylthio)-b-naphthylthiazole, 2-Methylmercaptonaphtho(1,2-d)thiazole, ACMC-209kvq, AC1L2VUK, AC1Q4WCV, SCHEMBL9300879, DTXSID8068670, CTK8B1806, NCJSBVUUUHBCQS-UHFFFAOYSA-N, ZINC1508953, ANW-31332, CM-277, MFCD00600616, AKOS015963284, VT10030, ACM51769438, AC-19512, AN-41132, CJ-23763, TC-120077, 2-(METHYLTHIO)-BETA-NAPHTHYLTHIAZOLE, FT-0640023, M1827, 2-(methylsulfanyl)naphtho[1,2-d][1,3]thiazole, 769M438, C-36714, I09-2988, 2- -beta-naphthothiazole, C12-H9-N-S2, AR-1K6005, CID103962, ZINC01508953, 38411-80-2,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.018g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.331g/mol
Monoisotopic Mass	231.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

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