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175202-75-2 | 2(1H)-Pyrimidinethione, 4-(2-thienyl)-
CAS No: 175202-75-2 Catalog No: AG0020I1 MDL No:MFCD01570384
Product Description
Catalog Number:
AG0020I1
Chemical Name:
2(1H)-Pyrimidinethione, 4-(2-thienyl)-
CAS Number:
175202-75-2
Molecular Formula:
C8H6N2S2
Molecular Weight:
194.2766
MDL Number:
MFCD01570384
IUPAC Name:
6-thiophen-2-yl-1H-pyrimidine-2-thione
InChI:
InChI=1S/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11)
InChI Key:
IPUPBWKUWAKTQL-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccc(n1)c1cccs1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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