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Home > Other Heterocycles > 64938-04-1
64938-04-1 | 3,4-Dithia-7,9-diazabicyclo[4.2.2]decane-8,10-dione, (1S)-
CAS No: 64938-04-1 Catalog No: AG00H89M MDL No:
Product Description
Catalog Number:
AG00H89M
Chemical Name:
3,4-Dithia-7,9-diazabicyclo[4.2.2]decane-8,10-dione, (1S)-
CAS Number:
64938-04-1
Molecular Formula:
C6H8N2O2S2
Molecular Weight:
204.2699
IUPAC Name:
(6S)-3,4-dithia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
InChI:
InChI=1S/C6H8N2O2S2/c9-5-3-1-11-12-2-4(8-5)6(10)7-3/h3-4H,1-2H2,(H,7,10)(H,8,9)/t3-,4?/m1/s1
InChI Key:
UGQDRKXXFLEQNT-SYPWQXSBSA-N
SMILES:
O=C1N[C@@H]2CSSCC1NC2=O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.262g/mol
Monoisotopic Mass:
204.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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