AG00FASN

6639-57-2 | Benzothiazole-2-carboxaldehyde

AG00FASN

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CAS Number	6639-57-2
Catalog Number	AG00FASN(AGN-PC-0JOG6B)
Chemical Name	Benzothiazole-2-carboxaldehyde
IUPAC Name	1,3-benzothiazole-2-carbaldehyde
InChI	InChI=1S/C8H5NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H
InChI Key	RHKPJTFLRQNNGJ-UHFFFAOYSA-N
MDL Number	MFCD00526215
Molecular Formula	C8H5NOS
Molecular Weight	163.1964
NSC Number	49210
SMILES	O=CC1=NC2=CC=CC=C2S1
UNII	N9ES1SF5P4
Synonyms	1,3-Benzothiazole-2-carbaldehyde, 6639-57-2, 2-Benzothiazolecarboxaldehyde, Benzothiazole-2-carboxaldehyde, Benzothiazole-2-carbaldehyde, benzo[d]thiazole-2-carbaldehyde, 2-Formylbenzothiazole, 1,3-Benzothiazole-2-carboxaldehyde, NSC49210, UNII-N9ES1SF5P4, N9ES1SF5P4, RHKPJTFLRQNNGJ-UHFFFAOYSA-N, NSC 49210, zlchem 104, benzothiazolecarbaldehyde, PubChem14482, 2-Benzothiazolecarbaldehyde, benzothiazol-2-carbaldehyde, AC1Q1HM8, AC1Q6PZ5, ACMC-1B59D, 2-Formyl-1,3-benzothiazole, KSC354A9B, SCHEMBL221982, AC1L67Q5, SCHEMBL1376996, CTK2F4090, DTXSID30216612, ZLB0093, ZINC158622, ACT02310, ALBB-015206, STR10004, 1,3-Benzothiazole-2-carbaldehyde #, ANW-35204, BBL103727, Benzothiazole-2-carboxaldehyde, 97%, GEO-00278, MFCD00526215, NSC-49210, SBB052327, STL557537, AKOS003625809, AB06418, CB-3490, CS-W013251, MCULE-5195418901, RP02307, RTC-069704, TRA0080055, VT10004, KS-00000M83, AC-23054, AJ-15262, AM804207, BP-10649, BR-30101, CJ-01788, EN002604, SC-65177, ZB006977, AB0026140, ST2414790, TC-069704, 4CH-004370, AK00739050, BB 0250594, FT-0606556, ST50827703, W7738, C-4503, 639B572, S14-0652, W-200480, F2158-0620, 82493-25-2, C8H5NOS, AR-1D9040, CID241608, ACN-038745, C2344, 2-Benzothiazolecarboxaldehyde (6CI,8CI,9CI), 1629-78-3, 76575-04-7,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number