AG002CF5

19989-67-4 | Benzo[d]thiazole-6-carbaldehyde

AG002CF5

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CAS Number	19989-67-4
Catalog Number	AG002CF5(AGN-PC-003PK7)
Chemical Name	Benzo[d]thiazole-6-carbaldehyde
IUPAC Name	1,3-benzothiazole-6-carbaldehyde
InChI	InChI=1S/C8H5NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
InChI Key	AVSFPLJXSHRMHM-UHFFFAOYSA-N
MDL Number	MFCD03086101
Molecular Formula	C8H5NOS
Molecular Weight	163.1964
SMILES	C(=O)c1cc2c(cc1)ncs2
Synonyms	19989-67-4, 6-Benzothiazolecarboxaldehyde, Benzo[d]thiazole-6-carbaldehyde, 1,3-benzothiazole-6-carbaldehyde, 1,3-Benzothiazole-6-carboxaldehyde, 6-Formylbenzothiazole, AK-64307, Benzothiazol-6-carboxaldehyde, W-200203, 1,3-Benzothiazole-6-carboxaldehyde, 97%, 6-Benzothiazolecarbaldehyde, SCHEMBL1418925, CTK4E2960, KS-00000ONO, DTXSID40568033, 1?3-Benzothiazole-6-carboxaldehyde, ANW-48662, GEO-02723, MFCD03086101, ZINC34464209, AKOS015898847, FCH1158826, 6-BENZO[D]THIAZOLECARBOXALDEHYDE, ACM19989674, AC-27169, AJ-88730, BR-64307, CJ-18383, DS-15415, SC-21374, AB0023217, AX8211977, DB-066023, TC-137407, 4CH-010351, FT-0688480, ST24024626, W4229, S-4964, 82760-EP2298758A1, 82760-EP2298759A1, 82760-EP2305664A1, 989B674, I09-1944, C8H5NOS, 6-Benzothiazolecarboxaldehyde (8CI,9CI),

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.194g/mol
Monoisotopic Mass	163.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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