AG01AIUK

Name: 3-[(tert-butylsulfanyl)methyl]aniline
Brand: Angene Chemical
SKU: AG01AIUK

28288-27-9 | 3-[(tert-butylsulfanyl)methyl]aniline

AG01AIUK

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CAS Number	28288-27-9
Catalog Number	AG01AIUK
Chemical Name	3-[(tert-butylsulfanyl)methyl]aniline
IUPAC Name	3-(tert-butylsulfanylmethyl)aniline
InChI	InChI=1S/C11H17NS/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChI Key	UALMRUHIVCQBGA-UHFFFAOYSA-N
MDL Number	MFCD11136243
Molecular Formula	C11H17NS
Molecular Weight	195.3244
SMILES	CC(SCC1=CC(N)=CC=C1)(C)C
Synonyms	3-[(tert-butylsulfanyl)methyl]aniline, 28288-27-9, ZINC19869983, AKOS000220488, NE51183, EN300-79067,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.108g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.324g/mol
Monoisotopic Mass	195.108g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.3A^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