AG00DF62

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CAS Number	4430-35-7
Catalog Number	AG00DF62(AGN-PC-0MTZ98)
Chemical Name	1-Isothiocyanato-6-(methylsulfinyl)-hexane
IUPAC Name	1-isothiocyanato-6-methylsulfinylhexane
InChI	InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
InChI Key	XQZVZULJKVALRI-UHFFFAOYSA-N
MDL Number	MFCD03093720
Molecular Formula	C8H15NOS2
Molecular Weight	205.3408
SMILES	S=C=NCCCCCCS(C)=O
Synonyms	6-(Methylsulfinyl)hexyl isothiocyanate, 6-MITC, Hesperin, 4430-35-7, 6-methylsulfinylhexyl isothiocyanate, 6-(methylsulfinyl)hexyl isothiocyanate, 1-Isothiocyanato-6-(methylsulfinyl)hexane, 1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE, Hexane, 1-isothiocyanato-6-(methylsulfinyl)-, 6-MITC, SCHEMBL106183, CHEMBL573428, CTK1D2491, DTXSID00431173, CHEBI:138799, XQZVZULJKVALRI-UHFFFAOYSA-N, 1-isothiocyanato-6-methanesulfinylhexane, HY-101371, CS-0021243, 1-Isothiocyanato-6-(methylsulfinyl)hexane, 9CI, Isothiocyanic acid, 6-(methylsulfinyl)hexyl ester, 6-MeSC6 isothiocyanate, CID9815648, 1-isothiocyanato-6-methylsulfinyl-hexane, C111984,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.06g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.334g/mol
Monoisotopic Mass	205.06g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited