Home Other Building Blocks (butan-2-yl)(imino)methyl-lambda6-sulfanone

(butan-2-yl)(imino)methyl-lambda6-sulfanone

CAS No.:
2059955-23-4
Catalog Number:
AG01BRQG
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
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Product Description
Catalog Number:
AG01BRQG
Chemical Name:
(butan-2-yl)(imino)methyl-lambda6-sulfanone
CAS Number:
2059955-23-4
Molecular Formula:
C5H13NOS
Molecular Weight:
135.2278
MDL Number:
MFCD30502550
IUPAC Name:
butan-2-yl-imino-methyl-oxo-λ6-sulfane
InChI:
InChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3
InChI Key:
QKJIMLRHVWURPM-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=N)C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.072g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.225g/mol
Monoisotopic Mass:
135.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties