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126560-43-8 | Carbamodithioic acid, [2-(ethenyloxy)ethyl]-, ethyl ester (9CI)
CAS No: 126560-43-8 Catalog No: AG000SYD MDL No:
Product Description
Catalog Number:
AG000SYD
Chemical Name:
Carbamodithioic acid, [2-(ethenyloxy)ethyl]-, ethyl ester (9CI)
CAS Number:
126560-43-8
Molecular Formula:
C7H13NOS2
Molecular Weight:
191.3142
IUPAC Name:
ethyl N-(2-ethenoxyethyl)carbamodithioate
InChI:
InChI=1S/C7H13NOS2/c1-3-9-6-5-8-7(10)11-4-2/h3H,1,4-6H2,2H3,(H,8,10)
InChI Key:
KMJLLYXNNVBEDF-UHFFFAOYSA-N
SMILES:
CCSC(=S)NCCOC=C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.307g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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