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2905-39-7 | Propanamide, N-(1-thioxoethyl)-
CAS No: 2905-39-7 Catalog No: AG002VC2 MDL No:
Product Description
Catalog Number:
AG002VC2
Chemical Name:
Propanamide, N-(1-thioxoethyl)-
CAS Number:
2905-39-7
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
IUPAC Name:
N-ethanethioylpropanamide
InChI:
InChI=1S/C5H9NOS/c1-3-5(7)6-4(2)8/h3H2,1-2H3,(H,6,7,8)
InChI Key:
PIJFZHMJSTXAOA-UHFFFAOYSA-N
SMILES:
CCC(=O)NC(=S)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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