AG003JO5

2388-74-1 | 3-Methoxythioanisole

AG003JO5

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CAS Number	2388-74-1
Catalog Number	AG003JO5(AGN-PC-0JP5FR)
Chemical Name	3-Methoxythioanisole
IUPAC Name	1-methoxy-3-methylsulfanylbenzene
InChI	InChI=1S/C8H10OS/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChI Key	IWVQVOXDIOKVBE-UHFFFAOYSA-N
MDL Number	MFCD03789162
Molecular Formula	C8H10OS
Molecular Weight	154.2294
NSC Number	133794
SMILES	O(c1cccc(c1)SC)C
Synonyms	3-Methoxythioanisole, 2388-74-1, 3-methoxy thioanisole, 1-methoxy-3-methylsulfanyl-benzene, Benzene, 1-methoxy-3-(methylthio)-, Anisole, m-(methylthio)-, 1-Methoxy-3-methylthiobenzene, 3-(Methylthio)anisole, 1-methoxy-3-methylsulfanylbenzene, IWVQVOXDIOKVBE-UHFFFAOYSA-N, NSC133794, PubChem10653, AC1L5TXV, ACMC-209g6u, KSC205K4F, 3-methoxyphenyl methyl sulfide, SCHEMBL1145531, 3-Methoxythiophenol, S-methyl-, 1-methoxy-3-(methylthio)benzene, CTK1A5542, KS-00000ZUH, (3-methoxyphenyl)(methyl)sulfane, 1-methylsulfanyl-3-methoxybenzene, DTXSID60299933, Methyl (3-methoxyphenyl) sulfide, BCP17523, ZINC1720840, 1-Methoxy-3-(methylsulfanyl)benzene, ANW-25252, MFCD03789162, AKOS006228434, 1-Methoxy-3-(methylsulfanyl)benzene #, AS04295, MCULE-9815582592, NSC-133794, RP21869, VZ35119, AN-50807, CJ-06867, CJ-29222, SC-15547, U812, AB0019478, TR-011060, FT-0615960, M1880, ST51041988, Q-8155, A816964, I09-1434, J-512808, m-Methylthioanisole, O(C)c1cccc(SC)c1, C8H10OS, AR-1J6793, CID281182, 496-45-7,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.227g/mol
Monoisotopic Mass	154.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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