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1207048-00-7 | 5,7-Dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine
CAS No: 1207048-00-7 Catalog No: AG01APH8 MDL No:MFCD16631683
Product Description
Catalog Number:
AG01APH8
Chemical Name:
5,7-Dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine
CAS Number:
1207048-00-7
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD16631683
IUPAC Name:
5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C12H12N2S/c1-4-5-14-10-7-8(2)6-9(3)11(10)15-12(14)13/h1,6-7,13H,5H2,2-3H3
InChI Key:
SZLHGJVOPOIEIB-UHFFFAOYSA-N
SMILES:
C#CCn1c(=N)sc2c1cc(C)cc2C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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