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70839-94-0 | THIENO[3,2-D]THIAZOL-2(1H)-ONE
CAS No: 70839-94-0 Catalog No: AG005QSH MDL No:
Product Description
Catalog Number:
AG005QSH
Chemical Name:
THIENO[3,2-D]THIAZOL-2(1H)-ONE
CAS Number:
70839-94-0
Molecular Formula:
C5H3NOS2
Molecular Weight:
157.2134
IUPAC Name:
1H-thieno[3,2-d][1,3]thiazol-2-one
InChI:
InChI=1S/C5H3NOS2/c7-5-6-3-1-2-8-4(3)9-5/h1-2H,(H,6,7)
InChI Key:
PRQBRIFUHJGLPE-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)ccs2
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.966g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.205g/mol
Monoisotopic Mass:
156.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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