AG00EE8U

Name: Methyl 4-isothiocyanatobutanoate
Brand: Angene Chemical
SKU: AG00EE8U

62210-26-8 | Methyl 4-isothiocyanatobutanoate

AG00EE8U

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CAS Number	62210-26-8
Catalog Number	AG00EE8U(AGN-PC-0LK92W)
Chemical Name	Methyl 4-isothiocyanatobutanoate
IUPAC Name	methyl 4-isothiocyanatobutanoate
InChI	InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3
InChI Key	RIAAMQLODIETQE-UHFFFAOYSA-N
MDL Number	MFCD00060423
Molecular Formula	C6H9NO2S
Molecular Weight	159.2062
SMILES	C(=NCCCC(OC)=O)=S
Synonyms	methyl 4-isothiocyanatobutanoate, 62210-26-8, METHYL4-ISOTHIOCYANATOBUTANOATE, AC1NLQIT, methyl 4-isothiocyanatobutyrate, AC1Q443H, SCHEMBL13664664, CTK5B4763, DTXSID40407074, ZINC4206436, MFCD00060423, AKOS009031282, 4-Isothiocyanatobutanoic acid methyl ester, AJ-48840, EN300-13314, W-6393, ZINC04206436, CID4962363,

Complexity	152
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	5
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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