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14731-29-4 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chlorophenyl)amino]-
CAS No: 14731-29-4 Catalog No: AG001ESA MDL No:
Product Description
Catalog Number:
AG001ESA
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chlorophenyl)amino]-
CAS Number:
14731-29-4
Molecular Formula:
C8H6ClN3S2
Molecular Weight:
243.7363
IUPAC Name:
5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C8H6ClN3S2/c9-5-1-3-6(4-2-5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13)
InChI Key:
HFSWFROAQPHJHW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1n[nH]c(=S)s1
NSC Number:
209947
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.727g/mol
Monoisotopic Mass:
242.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review. | Journal of pharmacy & bioallied sciences 20110101 |
| 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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