AG007Z2M

14315-11-8 | 4-Methylbenzo[b]thiophene

AG007Z2M

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CAS Number	14315-11-8
Catalog Number	AG007Z2M(AGN-PC-0JLV17)
Chemical Name	4-Methylbenzo[b]thiophene
IUPAC Name	4-methyl-1-benzothiophene
InChI	InChI=1S/C9H8S/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3
InChI Key	RPKWIZPGQZKQKY-UHFFFAOYSA-N
MDL Number	MFCD04971188
Molecular Formula	C9H8S
Molecular Weight	148.2248
SMILES	CC1=CC=CC2=C1C=CS2
UNII	32573KN5YU
Synonyms	4-Methylbenzo[b]thiophene, 14315-11-8, 4-METHYLBENZOTHIOPHENE, 4-Methyl-1-benzothiophene, Benzo(b)thiophene, 4-methyl-, Benzo[b]thiophene, 4-methyl-, 4-Methylbenzo(b)thiophene, UNII-32573KN5YU, RPKWIZPGQZKQKY-UHFFFAOYSA-N, 32573KN5YU, AK-33268, Benzo[b]thiophene,4-methyl-, 4-Methyl-1-benzothiophene #, SCHEMBL156152, AC1L37A1, CTK4C3502, DTXSID10162325, ZINC2538938, 7012AA, ANW-57323, FCH849549, MFCD04971188, AKOS006294421, AS06380, CM10545, KS-00000O78, AJ-38780, DS-12139, AX8098987, ST2405891, TC-146068, 4CH-016885, A808026, 4-methylbenzo, C9H8S, C9-H8-S, CID84345, 7372-88-5,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.223g/mol
Monoisotopic Mass	148.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number