Home Other Building Blocks 2-methylbutanethioamide

2-methylbutanethioamide

CAS No.:
88512-44-1
Catalog Number:
AG01ACPK
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
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Product Description
Catalog Number:
AG01ACPK
Chemical Name:
2-methylbutanethioamide
CAS Number:
88512-44-1
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD11168463
IUPAC Name:
2-methylbutanethioamide
InChI:
InChI=1S/C5H11NS/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChI Key:
BHPAXKBSATVOQB-UHFFFAOYSA-N
SMILES:
CC(C(=S)N)CC
Properties
Complexity:
70.5  
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:
2  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties