AG005P7W

67868-84-2 | Benzaldehyde, 2-hydroxy-5-(methylthio)-

AG005P7W

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CAS Number	67868-84-2
Catalog Number	AG005P7W(AGN-PC-0NIY3V)
Chemical Name	Benzaldehyde, 2-hydroxy-5-(methylthio)-
IUPAC Name	2-hydroxy-5-methylsulfanylbenzaldehyde
InChI	InChI=1S/C8H8O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChI Key	UEFUHPOUXWUJPA-UHFFFAOYSA-N
MDL Number	MFCD03309091
Molecular Formula	C8H8O2S
Molecular Weight	168.2129
SMILES	CSc1ccc(c(c1)C=O)O
Synonyms	67868-84-2, 2-HYDROXY-5-(METHYLTHIO)BENZALDEHYDE, 2-HYDROXY-5-(METHYLSULFANYL)BENZALDEHYDE, 2-hydroxy-5-methylsulfanylbenzaldehyde, Benzaldehyde, 2-hydroxy-5-(methylthio)-, 5-methylthio-2-hydroxybenzaldehyde, 5-(methylthio)salicylaldehyde, SCHEMBL2641952, CTK1J2827, DTXSID20498102, UEFUHPOUXWUJPA-UHFFFAOYSA-N, ZINC5880707, MFCD03309091, MB02696, AK601329, DA-04388, DS-19703, CS-0015237, FT-0708283, A1-07456,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.21g/mol
Monoisotopic Mass	168.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.6A^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

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