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108712-09-0 | [1,4]Thiazino[3,2-b]-1,4-thiazine, octahydro-
CAS No: 108712-09-0 Catalog No: AG007C3B MDL No:
Product Description
Catalog Number:
AG007C3B
Chemical Name:
[1,4]Thiazino[3,2-b]-1,4-thiazine, octahydro-
CAS Number:
108712-09-0
Molecular Formula:
C6H12N2S2
Molecular Weight:
176.3029
IUPAC Name:
2,3,4,4a,6,7,8,8a-octahydro-[1,4]thiazino[3,2-b][1,4]thiazine
InChI:
InChI=1S/C6H12N2S2/c1-3-9-6-5(7-1)10-4-2-8-6/h5-8H,1-4H2
InChI Key:
AFORCCIAMVRZSC-UHFFFAOYSA-N
SMILES:
C1CSC2C(N1)SCCN2
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.296g/mol
Monoisotopic Mass:
176.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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