Home Other Building Blocks 2-ethylbutanethioamide

2-ethylbutanethioamide

CAS No.:
98278-52-5
Catalog Number:
AG019LO7
Molecular Formula:
C6H13NS
Molecular Weight:
131.2391
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Product Description
Catalog Number:
AG019LO7
Chemical Name:
2-ethylbutanethioamide
CAS Number:
98278-52-5
Molecular Formula:
C6H13NS
Molecular Weight:
131.2391
MDL Number:
MFCD09048499
IUPAC Name:
2-ethylbutanethioamide
InChI:
InChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChI Key:
ZQPXMBHQIBIRCF-UHFFFAOYSA-N
SMILES:
CCC(C(=S)N)CC
Properties
Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.077g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
131.237g/mol
Monoisotopic Mass:
131.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties