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89524-39-0 | Ethanimidothioic acid, 2-propenyl ester
CAS No: 89524-39-0 Catalog No: AG0040QM MDL No:
Product Description
Catalog Number:
AG0040QM
Chemical Name:
Ethanimidothioic acid, 2-propenyl ester
CAS Number:
89524-39-0
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
IUPAC Name:
prop-2-enyl ethanimidothioate
InChI:
InChI=1S/C5H9NS/c1-3-4-7-5(2)6/h3,6H,1,4H2,2H3
InChI Key:
UFIFPYGHJVUBMA-UHFFFAOYSA-N
SMILES:
CC(=N)SCC=C
Properties
Complexity:
78.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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