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4702-25-4 | isoquinoline-1-thiol
CAS No: 4702-25-4 Catalog No: AG00JH6R MDL No:MFCD00160671
Product Description
Catalog Number:
AG00JH6R
Chemical Name:
isoquinoline-1-thiol
CAS Number:
4702-25-4
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
MDL Number:
MFCD00160671
IUPAC Name:
2H-isoquinoline-1-thione
InChI:
InChI=1S/C9H7NS/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChI Key:
IOYIDSMWPLNHRC-UHFFFAOYSA-N
SMILES:
Sc1nccc2c1cccc2
NSC Number:
98825
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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