AG002XMT

Name: Methyl 4-(phenylsulfanyl)butanoate
Brand: Angene Chemical
SKU: AG002XMT

29193-71-3 | Methyl 4-(phenylsulfanyl)butanoate

AG002XMT

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CAS Number	29193-71-3
Catalog Number	AG002XMT(AGN-PC-0NK0JY)
Chemical Name	Methyl 4-(phenylsulfanyl)butanoate
IUPAC Name	methyl 4-phenylsulfanylbutanoate
InChI	InChI=1S/C11H14O2S/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI Key	ZSEFMFKDQORXAB-UHFFFAOYSA-N
MDL Number	MFCD11556292
Molecular Formula	C11H14O2S
Molecular Weight	210.2927
SMILES	COC(CCCSC1=CC=CC=C1)=O
Synonyms	methyl-4-(phenylthio)butanoate, methyl 4-(phenylsulfanyl)butanoate, 29193-71-3, 4-phenylsulfanyl-butyric acid methyl ester, Butanoic acid, 4-(phenylthio)-, methyl ester, methyl 4-(phenylthio)butanoate, methyl-4-(phenylthio)butanoate, SCHEMBL11218066, CTK0J1482, DTXSID10507919, ZINC26480389, AKOS008901884, MCULE-4192716577, NE53610, BB 0218550, Z15777497,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.291g/mol
Monoisotopic Mass	210.071g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
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