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139333-34-9 | Thieno[2,3-d]isothiazol-3(2H)-one, 2-(phenylmethyl)-
CAS No: 139333-34-9 Catalog No: AG007KVQ MDL No:
Product Description
Catalog Number:
AG007KVQ
Chemical Name:
Thieno[2,3-d]isothiazol-3(2H)-one, 2-(phenylmethyl)-
CAS Number:
139333-34-9
Molecular Formula:
C12H9NOS2
Molecular Weight:
247.3360
IUPAC Name:
2-benzylthieno[2,3-d][1,2]thiazol-3-one
InChI:
InChI=1S/C12H9NOS2/c14-12-11-10(6-7-15-11)16-13(12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
YZQQYUGEFAOHQJ-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)sc2c1scc2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.33g/mol
Monoisotopic Mass:
247.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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