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182198-35-2 | 4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CAS No: 182198-35-2 Catalog No: AG0023G7 MDL No:MFCD00218029
Product Description
Catalog Number:
AG0023G7
Chemical Name:
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CAS Number:
182198-35-2
Molecular Formula:
C12H7ClN2S
Molecular Weight:
246.7154
MDL Number:
MFCD00218029
IUPAC Name:
4-chloro-5-phenylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C12H7ClN2S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H
InChI Key:
WONOKVSIDWOIGC-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1c(cs2)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.712g/mol
Monoisotopic Mass:
246.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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