Home Other Building Blocks 3-methanesulfinylbutan-1-amine

3-methanesulfinylbutan-1-amine

CAS No.:
1394042-27-3
Catalog Number:
AG01A0WA
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
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Product Description
Catalog Number:
AG01A0WA
Chemical Name:
3-methanesulfinylbutan-1-amine
CAS Number:
1394042-27-3
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
MDL Number:
MFCD22378791
IUPAC Name:
3-methylsulfinylbutan-1-amine
InChI:
InChI=1S/C5H13NOS/c1-5(3-4-6)8(2)7/h5H,3-4,6H2,1-2H3
InChI Key:
ZFDQZKLMDYFXPU-UHFFFAOYSA-N
SMILES:
CC(S(=O)C)CCN
Properties
Complexity:
84.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.072g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.225g/mol
Monoisotopic Mass:
135.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties