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54624-55-4 | 2(3H)-Benzothiazolimine,3-(2-propynyl)-(9CI)
CAS No: 54624-55-4 Catalog No: AG00DWIH MDL No:MFCD18811528
Product Description
Catalog Number:
AG00DWIH
Chemical Name:
2(3H)-Benzothiazolimine,3-(2-propynyl)-(9CI)
CAS Number:
54624-55-4
MDL Number:
MFCD18811528
IUPAC Name:
3-prop-2-ynyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C10H8N2S/c1-2-7-12-8-5-3-4-6-9(8)13-10(12)11/h1,3-6,11H,7H2
InChI Key:
PQPZPXLJTWLWNA-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Inhibitors of apoptosis in lymphocytes: synthesis and biological evaluation of compounds related to pifithrin-alpha. | Journal of medicinal chemistry 20051006 |
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