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113520-01-7 | 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-3-(2-propen-1-yl)-2-thioxo-
CAS No: 113520-01-7 Catalog No: AG0008VT MDL No:MFCD00484384
Product Description
Catalog Number:
AG0008VT
Chemical Name:
4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-3-(2-propen-1-yl)-2-thioxo-
CAS Number:
113520-01-7
Molecular Formula:
C12H12N2OS2
Molecular Weight:
264.3665
MDL Number:
MFCD00484384
IUPAC Name:
11-prop-2-enyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
InChI:
InChI=1S/C12H12N2OS2/c1-2-6-14-11(15)9-7-4-3-5-8(7)17-10(9)13-12(14)16/h2H,1,3-6H2,(H,13,16)
InChI Key:
SRKGQOMPUYHFAP-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]c2c(c1=O)c1CCCc1s2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.361g/mol
Monoisotopic Mass:
264.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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