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179261-24-6 | Isothiazolo[4,5-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-
CAS No: 179261-24-6 Catalog No: AG0026W5 MDL No:
Product Description
Catalog Number:
AG0026W5
Chemical Name:
Isothiazolo[4,5-c]pyridin-3(2H)-one, 4,5,6,7-tetrahydro-
CAS Number:
179261-24-6
Molecular Formula:
C6H8N2OS
Molecular Weight:
156.2055
IUPAC Name:
4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-one
InChI:
InChI=1S/C6H8N2OS/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key:
ZXGXTTFJFGHGTL-UHFFFAOYSA-N
SMILES:
O=c1[nH]sc2c1CNCC2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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