AG0034AS

14315-14-1 | 5-Methylbenzo[b]thiophene

AG0034AS

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CAS Number	14315-14-1
Catalog Number	AG0034AS(AGN-PC-0CW4QH)
Chemical Name	5-Methylbenzo[b]thiophene
EC Number	238-256-2
IUPAC Name	5-methyl-1-benzothiophene
InChI	InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
InChI Key	DOHZWDWNQFZIKH-UHFFFAOYSA-N
MDL Number	MFCD00052509
Molecular Formula	C9H8S
Molecular Weight	148.2248
SMILES	CC1=CC2=C(SC=C2)C=C1
Synonyms	5-Methylbenzo[b]thiophene, 14315-14-1, 5-Methylbenzo(b)thiophene, Benzo[b]thiophene, 5-methyl-, 5-Methyl-1-benzothiophene, 5-methylbenzothiophene, 5-Methylthianaphthene, 5-methyl-benzo[b]thiophene, Benzo(b)thiophene, 5-methyl-, DOHZWDWNQFZIKH-UHFFFAOYSA-N, MFCD00052509, W-205588, EINECS 238-256-2, 5-methyl-benzothiophene, Benzothiophene, 5-mehyl, 5-methyl benzo[b]thiophene, 5-Methyl-benzo[d]thiophene, SCHEMBL155613, AC1L37A4, CHEMBL235508, DTXSID3074523, 5-Methylbenzo[b]thiophene, 98%, ZINC2510203, ZX-AT001494, ANW-60022, FCH932184, SBB055960, AKOS006220490, CHM0027360, OR26010, PS-4433, RP01601, VT20353, AJ-36405, AK-25418, CC-22035, SC-58144, AX8007650, TC-148767, FT-0620644, M2974, ST50824150, Y7528, 315M141, A808027, C-02660, C9H8S, C9-H8-S, CID84346, ZINC02510203, 5-Methylbenzo[b]thiophene, 97% - 1G 1g,

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 statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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