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935850-03-6 | 5,6-dihydro-4H-1,3-benzothiazol-7-one
CAS No: 935850-03-6 Catalog No: AG00IHOO MDL No:MFCD15071684
Product Description
Catalog Number:
AG00IHOO
Chemical Name:
5,6-dihydro-4H-1,3-benzothiazol-7-one
CAS Number:
935850-03-6
Molecular Formula:
C7H7NOS
Molecular Weight:
153.2016
MDL Number:
MFCD15071684
IUPAC Name:
5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C7H7NOS/c9-6-3-1-2-5-7(6)10-4-8-5/h4H,1-3H2
InChI Key:
RENBIQXXBKOXQC-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1scn2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.199g/mol
Monoisotopic Mass:
153.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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