AG00048T

10133-30-9 | Benzo[b]thiophene-5-carbaldehyde

AG00048T

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CAS Number	10133-30-9
Catalog Number	AG00048T(AGN-PC-0JMQK2)
Chemical Name	Benzo[b]thiophene-5-carbaldehyde
IUPAC Name	1-benzothiophene-5-carbaldehyde
InChI	InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
InChI Key	QHHRWAPVYHRAJA-UHFFFAOYSA-N
MDL Number	MFCD05663673
Molecular Formula	C9H6OS
Molecular Weight	162.2083
SMILES	O=CC1=CC=C2C(C=CS2)=C1
Synonyms	1-benzothiophene-5-carbaldehyde, 10133-30-9, benzo[b]thiophene-5-carbaldehyde, Benzo[b]thiophene-5-carboxaldehyde, Benzo(b)thiophene-5-carboxaldehyde, 5-Formylbenzo[b]thiophene, CHEMBL3358197, 5-Thionaphthenecarbaldehyde, AC1L3E9H, SCHEMBL632443, CTK0I0387, DTXSID30143853, 1-Benzothiophene-5-carboxaldehyde, QHHRWAPVYHRAJA-UHFFFAOYSA-N, KS-000029WM, ZINC2547786, BENZOTHIOPHENE-5-CARBALDEHYDE, BDBM50037723, MFCD05663673, SBB087628, AKOS003237317, MB03492, PS-3258, QC-3871, RP02257, AJ-39414, SC-27626, DB-015119, TX-015901, FT-0600555, Y6790, K-0227, W-204404, I14-108308, C9H6OS, 5-Benzothiophenecarboxaldehyde, CID139097, ZINC02547786, 10134-98-2,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.206g/mol
Monoisotopic Mass	162.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number