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7629-40-5 | 3-ethyl-2-thioxo-1,3-thiazinan-4-one
CAS No: 7629-40-5 Catalog No: AG008O1V MDL No:
Product Description
Catalog Number:
AG008O1V
Chemical Name:
3-ethyl-2-thioxo-1,3-thiazinan-4-one
CAS Number:
7629-40-5
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
IUPAC Name:
3-ethyl-2-sulfanylidene-1,3-thiazinan-4-one
InChI:
InChI=1S/C6H9NOS2/c1-2-7-5(8)3-4-10-6(7)9/h2-4H2,1H3
InChI Key:
WGWLAJDDGOYZSG-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CCSC1=S
NSC Number:
124194
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.264g/mol
Monoisotopic Mass:
175.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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