AG003HOY

Name: 2-Methylbutyl isothiocyanate
Brand: Angene Chemical
SKU: AG003HOY

4404-51-7 | 2-Methylbutyl isothiocyanate

AG003HOY

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CAS Number	4404-51-7
Catalog Number	AG003HOY(AGN-PC-0JMPZH)
Chemical Name	2-Methylbutyl isothiocyanate
IUPAC Name	1-isothiocyanato-2-methylbutane
InChI	InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3
InChI Key	MKWQGOSIKKPMLW-UHFFFAOYSA-N
MDL Number	MFCD00060414
Molecular Formula	C6H11NS
Molecular Weight	129.2232
SMILES	CCC(CN=C=S)C
Synonyms	2-Methylbutyl isothiocyanate, 4404-51-7, 1-Isothiocyanato-2-methylbutane, 2-METHYLBUTylisoTHIOCYANATE, MKWQGOSIKKPMLW-UHFFFAOYSA-N, ACMC-1AOLW, AC1L3CCG, 2-Methylbutylisothiocyanat, 2-methylbutanisothiocyanate, SCHEMBL3123999, CTK4I7952, KS-00002BIZ, 1-Isothiocyanato-2-methylbutane #, Butane,1-isothiocyanato-2-methyl-, STR04869, 3700AE, MFCD00060414, SBB085743, AKOS009157805, DB-021380, TR-017028, FT-0613023, I09-2553, 4736-57-6, C6H11NS, CID138225, ZINC02169696,

Complexity	94.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.061g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	129.221g/mol
Monoisotopic Mass	129.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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