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1286726-65-5 | 7-Methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine
CAS No: 1286726-65-5 Catalog No: AG01FMQN MDL No:MFCD22587811
Product Description
Catalog Number:
AG01FMQN
Chemical Name:
7-Methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine
CAS Number:
1286726-65-5
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD22587811
IUPAC Name:
7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-imine
InChI:
InChI=1S/C9H8N2O2S/c1-11-5-2-6-7(13-4-12-6)3-8(5)14-9(11)10/h2-3,10H,4H2,1H3
InChI Key:
YUGUBJUXNUYZAM-UHFFFAOYSA-N
SMILES:
N=c1sc2c(n1C)cc1c(c2)OCO1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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