AG00FD7Q

Name: methyl 2-isothiocyanatobutanoate
Brand: Angene Chemical
SKU: AG00FD7Q

68693-53-8 | methyl 2-isothiocyanatobutanoate

AG00FD7Q

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

CAS Number	68693-53-8
Catalog Number	AG00FD7Q
Chemical Name	methyl 2-isothiocyanatobutanoate
IUPAC Name	methyl 2-isothiocyanatobutanoate
InChI	InChI=1S/C6H9NO2S/c1-3-5(7-4-10)6(8)9-2/h5H,3H2,1-2H3
InChI Key	JQEICALGZPXFNA-UHFFFAOYSA-N
MDL Number	MFCD00041109
Molecular Formula	C6H9NO2S
Molecular Weight	159.2062
SMILES	CCC(C(OC)=O)N=C=S
Synonyms	Methyl DL-2-isothiocyanatobutyrate, 68693-53-8, methyl 2-isothiocyanatobutanoate, AC1MC1HO, SCHEMBL5724792, MFCD00041109, AKOS006344449, FS-4881, 2-Isothiocyanatobutanoic acid methyl ester, FT-0641199, ZINC04268886, CID2759913,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.203g/mol
Monoisotopic Mass	159.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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