AG00DBC1

Name: 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
Brand: Angene Chemical
SKU: AG00DBC1

52758-87-9 | 2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid

AG00DBC1

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CAS Number	52758-87-9
Catalog Number	AG00DBC1(AGN-PC-00KUT4)
Chemical Name	2-[(Pyridin-4-ylmethyl)sulfanyl]acetic acid
IUPAC Name	2-(pyridin-4-ylmethylsulfanyl)acetic acid
InChI	InChI=1S/C8H9NO2S/c10-8(11)6-12-5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,11)
InChI Key	GVLBEMCCEBDDMC-UHFFFAOYSA-N
MDL Number	MFCD02755445
Molecular Formula	C8H9NO2S
Molecular Weight	183.2276
SMILES	O=C(O)CSCC1=CC=NC=C1
Synonyms	2-[(pyridin-4-ylmethyl)sulfanyl]acetic acid, 52758-87-9, Acetic acid, 2-[(4-pyridinylmethyl)thio]-, AC1Q76G5, SCHEMBL8331326, CTK7J5889, ZINC20285260, AKOS000142844, MCULE-1014408883, NE23353, NCGC00324414-01, 2-((Pyridin-4-ylmethyl)thio)acetic acid, EN300-49960, 2-{[(pyridin-4-yl)methyl]sulfanyl}acetic acid, AB01320051-02, J-507618, Z228589362,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.225g/mol
Monoisotopic Mass	183.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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