AG0025BJ

Name: Butanoic acid, 4-(phenylthio)-
Brand: Angene Chemical
SKU: AG0025BJ

17742-51-7 | Butanoic acid, 4-(phenylthio)-

AG0025BJ

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CAS Number	17742-51-7
Catalog Number	AG0025BJ(AGN-PC-0JM2FJ)
Chemical Name	Butanoic acid, 4-(phenylthio)-
IUPAC Name	4-phenylsulfanylbutanoic acid
InChI	InChI=1S/C10H12O2S/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChI Key	HHZVQLOVHIDMBD-UHFFFAOYSA-N
MDL Number	MFCD02082831
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
NSC Number	115787
SMILES	C1(=CC=CC=C1)SCCCC(=O)O
UNII	XQ70H061FX
Synonyms	4-(phenylthio)butanoic acid, 4-(phenylthio)butryic acid, PTBA acid, 17742-51-7, 4-(phenylthio)butanoic acid, 4-(Phenylsulfanyl)butanoic acid, 4-phenylsulfanyl-butyric acid, Butanoic acid, 4-(phenylthio)-, 4-(Phenylthio)butyric acid, 4-phenylsulfanylbutanoic acid, NSC115787, UNII-XQ70H061FX, XQ70H061FX, Butanoic acid,4-(phenylthio)-, HHZVQLOVHIDMBD-UHFFFAOYSA-N, NSC-115787, NSC 115787, 4-phenylthiobutanoic acid, Bionet2_000643, AC1L3YA0, AC1Q5WD1, AC1Q75JN, NCIStruc1_000128, NCIStruc2_000260, SCHEMBL1932191, CHEMBL1569559, CTK4D6497, DTXSID10170304, HMS1365N05, 4-(Phenylsulfanyl)butanoic acid #, KS-00001T1M, ZINC1705357, CCG-38143, NCGC00014157, NCI115787, SBB079552, STL286681, AKOS000117213, MCULE-1194220261, NCGC00014157-02, NCGC00097266-01, NCI60_000355, DB-065187, BB 0218494, FT-0754564, EN300-04238, L-3976, 12P-609, F2182-0132, CID97324, AR-1G4444, C10-H12-O2-S, 181256-62-2,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.264g/mol
Monoisotopic Mass	196.056g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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