Home Other Building Blocks 2-phenylmethanesulfinylethan-1-amine

2-phenylmethanesulfinylethan-1-amine

CAS No.:
30491-32-8
Catalog Number:
AG01AGUR
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG01AGUR
Chemical Name:
2-phenylmethanesulfinylethan-1-amine
CAS Number:
30491-32-8
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD14612871
IUPAC Name:
2-benzylsulfinylethanamine
InChI:
InChI=1S/C9H13NOS/c10-6-7-12(11)8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChI Key:
TXOQYDGOZNSRSH-UHFFFAOYSA-N
SMILES:
NCCS(=O)Cc1ccccc1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties