AG003ERZ

3411-95-8 | 2-(Benzo[d]thiazol-2-yl)phenol

AG003ERZ

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CAS Number	3411-95-8
Catalog Number	AG003ERZ(AGN-PC-0O93X2)
Chemical Name	2-(Benzo[d]thiazol-2-yl)phenol
EC Number	222-299-9
IUPAC Name	2-(1,3-benzothiazol-2-yl)phenol
InChI	InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChI Key	MVVGSPCXHRFDDR-UHFFFAOYSA-N
MDL Number	MFCD00022869
Molecular Formula	C13H9NOS
Molecular Weight	227.2817
SMILES	OC1=CC=CC=C1C2=NC3=CC=CC=C3S2
UNII	40UQ1I362I
Synonyms	2-(2'-hydroxyphenyl)benzothiazole, 2-(2-hydroxyphenyl)benzothiazole, 2-(2-Hydroxyphenyl)benzothiazole, 3411-95-8, 2-(2-Benzothiazolyl)phenol, 2-(benzo[d]thiazol-2-yl)phenol, 2-(1,3-Benzothiazol-2-yl)phenol, Phenol, 2-(2-benzothiazolyl)-, o-(2-Benzothiazolyl)phenol, 2-(o-Hydroxyphenyl)benzothiazole, 2-Benzothiazol-2-ylphenol, Phenol, o-2-benzothiazolyl-, NSC 5051, NSC 58548, 2-(2'-hydroxyphenyl)benzothiazole, EINECS 222-299-9, BRN 0173026, UNII-40UQ1I362I, 6-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one, MVVGSPCXHRFDDR-UHFFFAOYSA-N, 40UQ1I362I, MFCD00022869, Phenol, o-2-benzothiazolyl- (6CI,7CI,8CI), (6Z)-6-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one, 2,4-Cyclohexadien-1-one, 6-(2(3H)-benzothiazolylidene)-, (6E)-, 2,4-Cyclohexadien-1-one, 6-(2(3H)-benzothiazolylidene)-, (Z)-, 108295-24-5, 108295-25-6, zlchem 99, PubChem11064, ACMC-20mbg8, ACMC-20mbg9, AC1NTA8X, o-(2-Benzothiazoyl)phenol, AC1NS5A7, AC1NSE97, Cambridge id 5250034, CBDivE_013931, SCHEMBL196475, ACMC-209i59, AC1Q788G, AC1Q793B, 2-(o-hydroxyphenyl)benzothiazol, CHEMBL1650632, DTXSID6063018, Phenol, o-(2-benzothiazolyl)-, CTK0D6375, CTK0G2758, CTK1J3655, NSC5051, ZLB0088, ZINC235985, ACT05799, BCP25642, NSC-5051, NSC58548, ANW-27787, ARK100638, GEO-01548, NSC-58548, SBB005787, STK731646, 2-O-HYDROXYPHENYLBENZOTHIAZOLE, AKOS001309988, ZINC100800433, ZINC100800435, 2-(1,3-Benzothiazol-2-yl)phenol #, AC-9299, AN-7174, FR-0836, MCULE-3223177941, PS-7757, RTR-014181, TRA0070459, VT10024, UPCMLD0ENAT5655027:001, 2-(2-Hydroxyphenyl)benzothiazole, 97%, NCGC00240994-02, AJ-18183, ST070223, ZB009668, AB0009669, DB-008083, LS-103992, TR-014181, EU-0052256, FT-0634844, A-8194, AB00076701-01, AB00076701-04, A822081, J-640150, S09-0066, W-200312, Z220533898, 2,4-Cyclohexadien-1-one, 6-(2(3H)-benzothiazolylidene)-, (6E)-6-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one, (6Z)-6-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,4-dienone, (5Z)-5-(2,3-Dihydrobenzothiazole-2-ylidene)-1,3-cyclohexadiene-6-one, 67294-91-1, C13H9NOS, Hydroxyphenyl benzothiazole, C13-H9-N-O-S, ZINC00235985, CID5354275, CID5359868, CID5376551, H0973, 4-27-00-02081 (Beilstein Handbook Reference), 2-(2-Hydroxyphenyl)benzothiazole, 98% - 25G 25g, 104197-13-9, 558-42-9, 83053-38-7,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.04g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.281g/mol
Monoisotopic Mass	227.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

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