AG00DD2C

Name: 1-{[4-(methylsulfanyl)phenyl]methyl}piperazine
Brand: Angene Chemical
SKU: AG00DD2C

55212-35-6 | 1-{[4-(methylsulfanyl)phenyl]methyl}piperazine

AG00DD2C

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CAS Number	55212-35-6
Catalog Number	AG00DD2C(AGN-PC-0KOAUV)
Chemical Name	1-{[4-(methylsulfanyl)phenyl]methyl}piperazine
IUPAC Name	1-[(4-methylsulfanylphenyl)methyl]piperazine
InChI	InChI=1S/C12H18N2S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChI Key	QLOKJRIVRGCVIM-UHFFFAOYSA-N
MDL Number	MFCD03103640
Molecular Formula	C12H18N2S
Molecular Weight	222.3497
SMILES	CSC1=CC=C(CN2CCNCC2)C=C1
Synonyms	1-[4-(methylthio)benzyl]piperazine, 55212-35-6, 1-[4-(methylsulfanyl)benzyl]piperazine, AC1MICJZ, 1-[(4-methylsulfanylphenyl)methyl]piperazine, SCHEMBL5365785, C12H18N2S, CTK5A3225, DTXSID90388809, ALBB-002170, 5497AE, BBL013617, STK378513, ZINC19737252, AKOS003237322, MCULE-1591320002, 1-(4-methylsulfanyl-benzyl)-piperazine, 1-methylthio-4-(piperazinylmethyl)benzene, AJ-74788, TR-052336, ST45136111, EN300-66887, 1-{[4-(methylsulfanyl)phenyl]methyl}piperazine, Y-0079, CID3042110, 1-[4-(methylthio)benzyl]piperazine hydrochloride,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.119g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.35g/mol
Monoisotopic Mass	222.119g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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