AG003B8P

22876-22-8 | 5-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione

AG003B8P

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CAS Number	22876-22-8
Catalog Number	AG003B8P(AGN-PC-0JV9SN)
Chemical Name	5-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione
IUPAC Name	5-methyl-3H-1,3-benzoxazole-2-thione
InChI	InChI=1S/C8H7NOS/c1-5-2-3-7-6(4-5)9-8(11)10-7/h2-4H,1H3,(H,9,11)
InChI Key	SSWZUOXLFTXIEZ-UHFFFAOYSA-N
MDL Number	MFCD00052492
Molecular Formula	C8H7NOS
Molecular Weight	165.2123
SMILES	S=C1OC2=CC=C(C)C=C2N1
Synonyms	22876-22-8, 2-Mercapto-5-methylbenzoxazole, 5-Methylbenzo[d]oxazole-2(3H)-thione, 5-methyl-1,3-benzoxazole-2-thiol, 5-METHYLBENZO[D]OXAZOLE-2-THIOL, 5-methyl-1,3-benzoxazole-2(3H)-thione, 5-methylbenzoxazoline-2-thione, 5-Methyl-2(3H)-benzoxazolethione, 5-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione, 5-methyl-2-mercaptobenzoxazole, MFCD00052492, 2(3H)-Benzoxazolethione, 5-methyl-, 5-methyl-3H-1,3-benzoxazole-2-thione, 5-methyl-3-hydrobenzoxazole-2-thione, ACMC-20ansa, AC1LED0I, Maybridge1_007363, SCHEMBL135052, 5-methyl-2-mercaptobenz-oxazole, CTK4F0378, HMS562G15, DTXSID60351803, SSWZUOXLFTXIEZ-UHFFFAOYSA-N, ZINC100723, 2-Mercapto-5-methylbenzo[d]oxazole, 5-methyl-3H-benzooxazole-2-thione, ALBB-012661, EBD47292, KS-00000ZT3, 2(3H)-Benzoxazolethione,5-methyl-, BBL002346, CM-996, SBB055993, STK701639, STK801725, 5-METHYL-BENZOOXAZOLE-2-THIOL, AKOS001039806, AKOS005173574, 2-BENZOXAZOLETHIOL, 5-METHYL-, AB45304, FK-0705, MCULE-6015035665, NE40049, AJ-11093, AM803555, TS-02222, ZB003470, AB0099446, TC-170497, 4CH-022190, FT-0620604, ST24044889, ST45187971, EN300-77013, 228M228, 876M228, I01-13728, 2-mercapto-6-methylbenzoxazole, CID710258, ZINC00100723, T0147,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.21g/mol
Monoisotopic Mass	165.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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