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2103-88-0 | 2(3H)-Thiazolethione, 4-phenyl-
CAS No: 2103-88-0 Catalog No: AG002KOP MDL No:MFCD00014508
Product Description
Catalog Number:
AG002KOP
Chemical Name:
2(3H)-Thiazolethione, 4-phenyl-
CAS Number:
2103-88-0
Molecular Formula:
C9H7NS2
Molecular Weight:
193.2886
MDL Number:
MFCD00014508
IUPAC Name:
4-phenyl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChI Key:
CYCKHTAVNBPQDB-UHFFFAOYSA-N
SMILES:
S=c1scc([nH]1)c1ccccc1
EC Number:
218-274-7
NSC Number:
678
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.282g/mol
Monoisotopic Mass:
193.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Rational design of indoleamine 2,3-dioxygenase inhibitors. | Journal of medicinal chemistry 20100211 |
| 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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