AG005YNF

Name: Octane, 1-isothiocyanato-8-(methylsulfinyl)-
Brand: Angene Chemical
SKU: AG005YNF

75272-81-0 | Octane, 1-isothiocyanato-8-(methylsulfinyl)-

AG005YNF

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CAS Number	75272-81-0
Catalog Number	AG005YNF(AGN-PC-0MTMSQ)
Chemical Name	Octane, 1-isothiocyanato-8-(methylsulfinyl)-
IUPAC Name	1-isothiocyanato-8-methylsulfinyloctane
InChI	InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3
InChI Key	BCRXKWOQVFKZAG-UHFFFAOYSA-N
MDL Number	MFCD03093722
Molecular Formula	C10H19NOS2
Molecular Weight	233.3940
SMILES	N(=C=S)CCCCCCCCS(=O)C
Synonyms	8-methylsulfinoctyl isothiocyanate, 8-methylsulfinyloctyl isothiocyanate, 8-MITC, MSO isothiocyanate, 8-(Methylsulfinyl)octyl isothiocyanate, 1-isothiocyanato-8-(methylsulfinyl)octane, 75272-81-0, Octane, 1-isothiocyanato-8-(methylsulfinyl)-, 8-methylsulfinyloctyl isothiocyanate, 1-Isothiocyanato-8-(methylsulfinyl)-octane, Hirsutin?, 8-MeSO-octyl-NCS, SCHEMBL2485837, CHEBI:91152, CTK2G9224, DTXSID40430802, (R)-8-Methylsulfinyloctyl isothiocyanate, 31456-68-5, Hirsutin, 1-isothiocyanato-8-methylsulfinyloctane, CID9794659, 1-isothiocyanato-8-methylsulfinyl-octane,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.091g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.388g/mol
Monoisotopic Mass	233.091g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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