AG00E92X

Name: 1-isothiocyanato-3-methylbutane
Brand: Angene Chemical
SKU: AG00E92X

628-03-5 | 1-isothiocyanato-3-methylbutane

AG00E92X

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CAS Number	628-03-5
Catalog Number	AG00E92X(AGN-PC-0WBPOL)
Chemical Name	1-isothiocyanato-3-methylbutane
FEMA Number	4423
IUPAC Name	1-isothiocyanato-3-methylbutane
InChI	InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
InChI Key	JATNWMBUDXLMEO-UHFFFAOYSA-N
MDL Number	MFCD00060419
Molecular Formula	C6H11NS
Molecular Weight	129.2232
SMILES	CC(CCN=C=S)C
UNII	HLP916O2C9
Synonyms	3-Methylbutyl isothiocyanate, 1-Isothiocyanato-3-methylbutane, 628-03-5, isoamyl isothiocyanate, Butane, 1-isothiocyanato-3-methyl-, 3-methylbutylisothiocyanate, UNII-HLP916O2C9, HLP916O2C9, JATNWMBUDXLMEO-UHFFFAOYSA-N, Isoamylisothiocyanat, Isoamyl mustard oil, AC1L2WMM, AC1Q7EVR, SCHEMBL1679686, CTK8D6965, 1-isothiocyanato-3-methyl-butane, DTXSID00211876, 1-Isothiocyanato-3-methylbutane #, ALBB-028451, ZINC2528121, MFCD00060419, AKOS000212399, FS-4584, DB-054291, TR-021602, FT-0632651, Y-8729, I09-2552, C6H11NS, C6-H11-N-S, CID79086, AR-1C4165, ZINC02528121, 63834-68-4,

Complexity	92.7
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	0
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