Home Other Building Blocks 3-(methylsulfanyl)butan-1-amine

3-(methylsulfanyl)butan-1-amine

CAS No.:
887580-42-9
Catalog Number:
AG01A9CY
Molecular Formula:
C5H13NS
Molecular Weight:
119.2284
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Product Description
Catalog Number:
AG01A9CY
Chemical Name:
3-(methylsulfanyl)butan-1-amine
CAS Number:
887580-42-9
Molecular Formula:
C5H13NS
Molecular Weight:
119.2284
MDL Number:
MFCD07786667
IUPAC Name:
3-methylsulfanylbutan-1-amine
InChI:
InChI=1S/C5H13NS/c1-5(7-2)3-4-6/h5H,3-4,6H2,1-2H3
InChI Key:
RWDNYBMVODCOAU-UHFFFAOYSA-N
SMILES:
CC(SC)CCN
Properties
Complexity:
39.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.077g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.226g/mol
Monoisotopic Mass:
119.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties