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64677-67-4 | 3-PROP-2-YN-1-YLNAPHTHO[2,1-D][1,3]THIAZOL-2(3H)-IMINE
CAS No: 64677-67-4 Catalog No: AG01AQBX MDL No:MFCD16631720
Product Description
Catalog Number:
AG01AQBX
Chemical Name:
3-PROP-2-YN-1-YLNAPHTHO[2,1-D][1,3]THIAZOL-2(3H)-IMINE
CAS Number:
64677-67-4
Molecular Formula:
C14H10N2S
Molecular Weight:
238.3076
MDL Number:
MFCD16631720
IUPAC Name:
3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-imine
InChI:
InChI=1S/C14H10N2S/c1-2-9-16-12-8-7-10-5-3-4-6-11(10)13(12)17-14(16)15/h1,3-8,15H,9H2
InChI Key:
PNPIHAGWWIJBMQ-UHFFFAOYSA-N
SMILES:
C#CCn1c(=N)sc2c1ccc1c2cccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.308g/mol
Monoisotopic Mass:
238.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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