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72647-25-7 | 5,6-DIHYDRO-3-(2-FURANYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
CAS No: 72647-25-7 Catalog No: AG005FS7 MDL No:
Product Description
Catalog Number:
AG005FS7
Chemical Name:
5,6-DIHYDRO-3-(2-FURANYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
CAS Number:
72647-25-7
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
3-(furan-2-yl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C8H7N3OS/c1-2-6(12-4-1)7-9-10-8-11(7)3-5-13-8/h1-2,4H,3,5H2
InChI Key:
JRPQWCZGPKUXSO-UHFFFAOYSA-N
SMILES:
c1coc(c1)c1nnc2n1CCS2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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