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Home > Other Heterocycles > 133993-74-5
133993-74-5 | 1-Oxa-4-azaspiro[4.5]decane-4-carbodithioic acid, 2-propenyl ester
CAS No: 133993-74-5 Catalog No: AG00714Y MDL No:
Product Description
Catalog Number:
AG00714Y
Chemical Name:
1-Oxa-4-azaspiro[4.5]decane-4-carbodithioic acid, 2-propenyl ester
CAS Number:
133993-74-5
Molecular Formula:
C12H19NOS2
Molecular Weight:
257.4154
IUPAC Name:
prop-2-enyl 1-oxa-4-azaspiro[4.5]decane-4-carbodithioate
InChI:
InChI=1S/C12H19NOS2/c1-2-10-16-11(15)13-8-9-14-12(13)6-4-3-5-7-12/h2H,1,3-10H2
InChI Key:
LLBYUPOTPHGXIL-UHFFFAOYSA-N
SMILES:
C=CCSC(=S)N1CCOC21CCCCC2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.41g/mol
Monoisotopic Mass:
257.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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