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88057-91-4 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(2-thienyl)-
CAS No: 88057-91-4 Catalog No: AG004FGH MDL No:
Product Description
Catalog Number:
AG004FGH
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(2-thienyl)-
CAS Number:
88057-91-4
Molecular Formula:
C7H6N2OS2
Molecular Weight:
198.2653
IUPAC Name:
5-thiophen-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C7H6N2OS2/c10-7-9-8-5(4-12-7)6-2-1-3-11-6/h1-3H,4H2,(H,9,10)
InChI Key:
LNZWXOPFTWBKNL-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1cccs1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.258g/mol
Monoisotopic Mass:
197.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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