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113815-93-3 | Ethane, 1-ethoxy-1-isothiocyanato-
CAS No: 113815-93-3 Catalog No: AG0009SE MDL No:
Product Description
Catalog Number:
AG0009SE
Chemical Name:
Ethane, 1-ethoxy-1-isothiocyanato-
CAS Number:
113815-93-3
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
IUPAC Name:
1-ethoxy-1-isothiocyanatoethane
InChI:
InChI=1S/C5H9NOS/c1-3-7-5(2)6-4-8/h5H,3H2,1-2H3
InChI Key:
WJYJEXONWZJFFF-UHFFFAOYSA-N
SMILES:
CC(N=C=S)OCC
Properties
Complexity:
98.6
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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