AG00BXQ2

35371-03-0 | 4-Iodothioanisole

AG00BXQ2

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CAS Number	35371-03-0
Catalog Number	AG00BXQ2(AGN-PC-0KKN68)
Chemical Name	4-Iodothioanisole
IUPAC Name	1-iodo-4-methylsulfanylbenzene
InChI	InChI=1S/C7H7IS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key	VGQFOKHFPSTYJY-UHFFFAOYSA-N
MDL Number	MFCD00041454
Molecular Formula	C7H7IS
Molecular Weight	250.1000
SMILES	S(C)c1ccc(cc1)I
Synonyms	4-Iodothioanisole, 35371-03-0, (4-iodophenyl)(methyl)sulfane, p-iodothioanisole, 1-iodo-4-(methylsulfanyl)benzene, 1-iodo-4-methylsulfanylbenzene, VGQFOKHFPSTYJY-UHFFFAOYSA-N, PubChem10670, 4-iodo-1-methylthiobenzene, AC1MC09D, SCHEMBL514289, 1-iodo-4-(methylthio)benzene, CTK4H4389, KS-00000KJN, DTXSID20374770, Benzene,1-iodo-4-(methylthio)-, 1-iodanyl-4-methylsulfanyl-benzene, Benzene, 1-iodo-4-(methylthio)-, ZINC2390207, ANW-71664, MFCD00041454, AKOS009319465, AS04301, FS-4242, MCULE-7321232415, RP28887, AJ-35665, AK-77038, I353, AB0013641, TC-160409, FT-0650745, ST51041581, A822759, I09-1459, J-515583, 4-Iodothiaanisole, C7H7IS, ZINC02390207, CID2759374, 4-Iodothioanisole, 95% - 25G 25g,

Complexity	77
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.931g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.097g/mol
Monoisotopic Mass	249.931g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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