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338420-11-4 | 5-(2-phenyl-1,3-thiazol-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 338420-11-4 Catalog No: AG00IPXU MDL No:MFCD00171868
Product Description
Catalog Number:
AG00IPXU
Chemical Name:
5-(2-phenyl-1,3-thiazol-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
338420-11-4
Molecular Formula:
C14H12N4S2
Molecular Weight:
300.4019
MDL Number:
MFCD00171868
IUPAC Name:
3-(2-phenyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H12N4S2/c1-2-8-18-12(16-17-14(18)19)11-9-20-13(15-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,17,19)
InChI Key:
IWWYJKYXTZZSRX-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1csc(n1)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.398g/mol
Monoisotopic Mass:
300.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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