Home Aminos 3-amino-4-(methylsulfanyl)butan-1-ol

3-amino-4-(methylsulfanyl)butan-1-ol

CAS No.:
1334146-75-6
Catalog Number:
AG018SBY
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
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Product Description
Catalog Number:
AG018SBY
Chemical Name:
3-amino-4-(methylsulfanyl)butan-1-ol
CAS Number:
1334146-75-6
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
MDL Number:
MFCD19982543
IUPAC Name:
3-amino-4-methylsulfanylbutan-1-ol
InChI:
InChI=1S/C5H13NOS/c1-8-4-5(6)2-3-7/h5,7H,2-4,6H2,1H3
InChI Key:
KLZAYMUKQIJPJV-UHFFFAOYSA-N
SMILES:
CSCC(CCO)N
Properties
Complexity:
51.7  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
135.225g/mol
Monoisotopic Mass:
135.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties