Home Other Building Blocks 2-(tert-butoxy)ethanethioamide

2-(tert-butoxy)ethanethioamide

CAS No.:
1039316-23-8
Catalog Number:
AG01CAB3
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
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Product Description
Catalog Number:
AG01CAB3
Chemical Name:
2-(tert-butoxy)ethanethioamide
CAS Number:
1039316-23-8
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
MDL Number:
MFCD11197032
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]ethanethioamide
InChI:
InChI=1S/C6H13NOS/c1-6(2,3)8-4-5(7)9/h4H2,1-3H3,(H2,7,9)
InChI Key:
ZIHGQRNPSPOKKI-UHFFFAOYSA-N
SMILES:
NC(=S)COC(C)(C)C
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.072g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.236g/mol
Monoisotopic Mass:
147.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties