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14731-25-0 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-methylphenyl)amino]-
CAS No: 14731-25-0 Catalog No: AG001ESC MDL No:MFCD00020707
Product Description
Catalog Number:
AG001ESC
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-methylphenyl)amino]-
CAS Number:
14731-25-0
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
MDL Number:
MFCD00020707
IUPAC Name:
5-(4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C9H9N3S2/c1-6-2-4-7(5-3-6)10-8-11-12-9(13)14-8/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key:
UDHJCFUNVNFOLP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1n[nH]c(=S)s1
NSC Number:
135812
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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