AG00BCD3

2254-94-6 | N-Methylbenzothiazole-2-thione

AG00BCD3

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CAS Number	2254-94-6
Catalog Number	AG00BCD3(AGN-PC-0JLP8T)
Chemical Name	N-Methylbenzothiazole-2-thione
EC Number	218-852-9
IUPAC Name	3-methyl-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChI Key	IRNRNPNZAKHEAW-UHFFFAOYSA-N
MDL Number	MFCD00005817
Molecular Formula	C8H7NS2
Molecular Weight	181.2779
NSC Number	66551
SMILES	CN1C(=S)SC2=C1C=CC=C2
Synonyms	2254-94-6, 3-Methylbenzo[d]thiazole-2(3H)-thione, N-Methylbenzothiazole-2-thione, 3-Methylbenzothiazole-2-thione, 2(3H)-Benzothiazolethione, 3-methyl-, N-Methylbenzothiazoline-2-thione, 2-Benzothiazolinethione, 3-methyl-, 3-Methylbenzothiazoline-2-thione, 3-Methylbenzothiazole-2(3H)-thione, EINECS 218-852-9, IRNRNPNZAKHEAW-UHFFFAOYSA-N, 2(3H)-Benzothiazolethione, methyl-, 3-Methylbenzo[d]thiazoline-2-thione, 3-methyl-1,3-benzothiazole-2-thione, 3-Methyl-1,3-benzothiazoline-2-thione, 3-methyl-3-hydrobenzothiazole-2-thione, NSC66551, AC1Q7FDE, AC1L2OE6, SCHEMBL230331, 3-methyl-benzothiazole-2-thione, DTXSID1073288, CTK0I4681, ZINC39665, HMS1666K14, 3-Methyl-2(3H)-benzothiazolethione, 3-Methyl-3H-benzothiazole-2-thione, ANW-68596, MFCD00005817, NSC-66551, SBB007611, STK367551, 3-Methylbenzothiazole-2-thione, 99%, AKOS003002255, FCH1115843, MCULE-6302492495, AJ-08885, CC-32949, LS-40841, SC-85966, ST079935, ZB001167, 3-Methyl-1,3-benzothiazole-2(3H)-thione, AX8145063, DB-045945, TC-157341, FT-0616130, Z2745, 3-Methyl-1,3-benzothiazole-2(3H)-thione #, C-30411, J-014759, I01-18798, InChI=1/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H, 29383-39-9, C8H7NS2, C8-H7-N-S2, CID75264, AR-1K7623, 56968-27-5,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.002g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.271g/mol
Monoisotopic Mass	181.002g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	60.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number