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95460-05-2 | 3H-Thiazolo[3,4-a]pyrazine-5,8-dione, tetrahydro-6-methoxy-
CAS No: 95460-05-2 Catalog No: AG006DDN MDL No:
Product Description
Catalog Number:
AG006DDN
Chemical Name:
3H-Thiazolo[3,4-a]pyrazine-5,8-dione, tetrahydro-6-methoxy-
CAS Number:
95460-05-2
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
6-methoxy-3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
InChI:
InChI=1S/C7H10N2O3S/c1-12-6-7(11)9-3-13-2-4(9)5(10)8-6/h4,6H,2-3H2,1H3,(H,8,10)
InChI Key:
XTWJKCDEVFRSAG-UHFFFAOYSA-N
SMILES:
COC1NC(=O)C2N(C1=O)CSC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.228g/mol
Monoisotopic Mass:
202.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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