Home Other Building Blocks N-(propan-2-yl)ethanethioamide

N-(propan-2-yl)ethanethioamide

CAS No.:
5310-11-2
Catalog Number:
AG01A533
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
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Product Description
Catalog Number:
AG01A533
Chemical Name:
N-(propan-2-yl)ethanethioamide
CAS Number:
5310-11-2
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD19217016
IUPAC Name:
N-propan-2-ylethanethioamide
InChI:
InChI=1S/C5H11NS/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)
InChI Key:
BOFBNSQUQQUDRF-UHFFFAOYSA-N
SMILES:
CC(NC(=S)C)C
Properties
Complexity:
68.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties