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5718-87-6 | 1H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
CAS No: 5718-87-6 Catalog No: AG00JGT1 MDL No:MFCD00729065
Product Description
Catalog Number:
AG00JGT1
Chemical Name:
1H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
CAS Number:
5718-87-6
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD00729065
IUPAC Name:
3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
InChI:
InChI=1S/C5H6N2O2S/c8-4-3-1-10-2-7(3)5(9)6-4/h3H,1-2H2,(H,6,8,9)
InChI Key:
VSHNGALPNIMBCM-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2N1CSC2
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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