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17998-12-8 | Phthalazine, 1-(3-thietanyl)-
CAS No: 17998-12-8 Catalog No: AG0021JW MDL No:
Product Description
Catalog Number:
AG0021JW
Chemical Name:
Phthalazine, 1-(3-thietanyl)-
CAS Number:
17998-12-8
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
IUPAC Name:
1-(thietan-3-yl)phthalazine
InChI:
InChI=1S/C11H10N2S/c1-2-4-10-8(3-1)5-12-13-11(10)9-6-14-7-9/h1-5,9H,6-7H2
InChI Key:
WSEPIZHYTDIMFH-UHFFFAOYSA-N
SMILES:
S1CC(C1)c1nncc2c1cccc2
NSC Number:
111238
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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