AG003HH0

33775-94-9 | (2-Iodophenyl)(methyl)sulfane

AG003HH0

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CAS Number	33775-94-9
Catalog Number	AG003HH0(AGN-PC-0KLBRS)
Chemical Name	(2-Iodophenyl)(methyl)sulfane
IUPAC Name	1-iodo-2-methylsulfanylbenzene
InChI	InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key	YENHZHSFWAPGIR-UHFFFAOYSA-N
MDL Number	MFCD00051611
Molecular Formula	C7H7IS
Molecular Weight	250.1000
SMILES	CSC1=CC=CC=C1I
Synonyms	2-Iodothioanisole, 33775-94-9, (2-Iodophenyl)(methyl)sulfane, 1-iodo-2-(methylthio)benzene, 1-iodo-2-methylsulfanylbenzene, 1-Iodo-2-methylsulfanyl-benzene, 2-(METHYLTHIO)IODOBENZENE, 1-iodo-2-(methylsulfanyl)benzene, YENHZHSFWAPGIR-UHFFFAOYSA-N, 2-IODOPHENYL METHYL SULFIDE, o-iodothioanisole, ACMC-20ansu, PubChem10668, AC1MCV9S, 2-methylmercaptoiodobenzene, 2-iodo-1-methylthiobenzene, SCHEMBL767433, CTK1C6439, DTXSID50384246, ZINC153312, Benzene, 1-iodo-2-(methylthio)-, MFCD00051611, AKOS009158539, AS04299, CM11822, MCULE-7917145005, RP28889, VZ24810, AC-16438, AS-33046, U745, ZB005398, DB-021242, TR-036529, FT-0612689, ST51041416, Y-8804, I09-1453, I09-2824, J-509737, C7H7IS, ZINC00153312, CID2801416, 2-Iodothioanisole, 96% - 25G 25g,

Complexity	85
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	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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