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37147-15-2 | 5-(Ethylthio)-1,3,4-thiadiazole-2-thiol
CAS No: 37147-15-2 Catalog No: AG003H86 MDL No:MFCD00186131
Product Description
Catalog Number:
AG003H86
Chemical Name:
5-(Ethylthio)-1,3,4-thiadiazole-2-thiol
CAS Number:
37147-15-2
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
MDL Number:
MFCD00186131
IUPAC Name:
5-ethylsulfanyl-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C4H6N2S3/c1-2-8-4-6-5-3(7)9-4/h2H2,1H3,(H,5,7)
InChI Key:
JLJYQXMUUKOBBO-UHFFFAOYSA-N
SMILES:
CCSc1nnc(s1)S
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.286g/mol
Monoisotopic Mass:
177.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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