AG01AIU5

Name: 3-[(oxan-4-ylsulfanyl)methyl]aniline
Brand: Angene Chemical
SKU: AG01AIU5

1311318-37-2 | 3-[(oxan-4-ylsulfanyl)methyl]aniline

AG01AIU5

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CAS Number	1311318-37-2
Catalog Number	AG01AIU5(AGN-PC-0WO810)
Chemical Name	3-[(oxan-4-ylsulfanyl)methyl]aniline
IUPAC Name	3-(oxan-4-ylsulfanylmethyl)aniline
InChI	InChI=1S/C12H17NOS/c13-11-3-1-2-10(8-11)9-15-12-4-6-14-7-5-12/h1-3,8,12H,4-7,9,13H2
InChI Key	DVFCAYUNLOGXNC-UHFFFAOYSA-N
MDL Number	MFCD17268422
Molecular Formula	C12H17NOS
Molecular Weight	223.3345
SMILES	NC1=CC(CSC2CCOCC2)=CC=C1
Synonyms	3-[(oxan-4-ylsulfanyl)methyl]aniline, 1311318-37-2, ZINC62053912, AKOS012293225, MCULE-3879552862, NE42462, EN300-79034,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.103g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.334g/mol
Monoisotopic Mass	223.103g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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