Home Other Building Blocks (4-benzylthiomorpholin-3-yl)methanamine

(4-benzylthiomorpholin-3-yl)methanamine

CAS No.:
170701-97-0
Catalog Number:
AG01BE3T
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
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Product Description
Catalog Number:
AG01BE3T
Chemical Name:
(4-benzylthiomorpholin-3-yl)methanamine
CAS Number:
170701-97-0
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
MDL Number:
MFCD22035976
IUPAC Name:
(4-benzylthiomorpholin-3-yl)methanamine
InChI:
InChI=1S/C12H18N2S/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChI Key:
YWVCBDDTRSTVDU-UHFFFAOYSA-N
SMILES:
NCC1CSCCN1Cc1ccccc1
Properties
Complexity:
181  
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:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties