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1354952-12-7 | 1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine
CAS No: 1354952-12-7 Catalog No: AG01AKQQ MDL No:MFCD20501912
Product Description
Catalog Number:
AG01AKQQ
Chemical Name:
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine
CAS Number:
1354952-12-7
Molecular Formula:
C7H11N3S
Molecular Weight:
169.2473
MDL Number:
MFCD20501912
IUPAC Name:
1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b][1,4]thiazine
InChI:
InChI=1S/C7H11N3S/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3
InChI Key:
ANHHISJPUMRETG-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1NCCS2)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.246g/mol
Monoisotopic Mass:
169.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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