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25946-69-4 | 2H-Cycloheptathiazol-2-one
CAS No: 25946-69-4 Catalog No: AG002R62 MDL No:
Product Description
Catalog Number:
AG002R62
Chemical Name:
2H-Cycloheptathiazol-2-one
CAS Number:
25946-69-4
Molecular Formula:
C8H5NOS
Molecular Weight:
163.1964
IUPAC Name:
cyclohepta[d][1,3]thiazol-2-one
InChI:
InChI=1S/C8H5NOS/c10-8-9-6-4-2-1-3-5-7(6)11-8/h1-5H
InChI Key:
RMCAUKPOUZTMOV-UHFFFAOYSA-N
SMILES:
O=c1nc2c(s1)ccccc2
NSC Number:
44691
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.194g/mol
Monoisotopic Mass:
163.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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