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817-73-2 | O-Ethyl methylthiocarbamate
CAS No: 817-73-2 Catalog No: AG0056TY MDL No:MFCD19216821
Product Description
Catalog Number:
AG0056TY
Chemical Name:
O-Ethyl methylthiocarbamate
CAS Number:
817-73-2
Molecular Formula:
C4H9NOS
Molecular Weight:
119.1854
MDL Number:
MFCD19216821
IUPAC Name:
O-ethyl N-methylcarbamothioate
InChI:
InChI=1S/C4H9NOS/c1-3-6-4(7)5-2/h3H2,1-2H3,(H,5,7)
InChI Key:
PTQVKYJDNZLWCR-UHFFFAOYSA-N
SMILES:
CCOC(=S)NC
Properties
Complexity:
64.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.04g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.182g/mol
Monoisotopic Mass:
119.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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