Home Other Building Blocks (2S)-4-(methylsulfanyl)butane-1,2-diamine

(2S)-4-(methylsulfanyl)butane-1,2-diamine

CAS No.:
68013-51-4
Catalog Number:
AG01BVB8
Molecular Formula:
C5H14N2S
Molecular Weight:
134.2431
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Product Description
Catalog Number:
AG01BVB8
Chemical Name:
(2S)-4-(methylsulfanyl)butane-1,2-diamine
CAS Number:
68013-51-4
Molecular Formula:
C5H14N2S
Molecular Weight:
134.2431
MDL Number:
MFCD19206547
IUPAC Name:
4-methylsulfanylbutane-1,2-diamine
InChI:
InChI=1S/C5H14N2S/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3
InChI Key:
JCPJXANXGBPYRU-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](CN)N
Properties
Complexity:
49.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.088g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
134.241g/mol
Monoisotopic Mass:
134.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties