chempirical

4-Chloro-5-phenylthieno[2,3-D]pyrimidine

C12H7ClN2SCAS 182198-35-2246.71 g/mol

Open in Covalent MOL file
SNNCl
Aryl halide

Properties

Molecular formula
C12H7ClN2S
Molar mass
246.71 g/mol
Exact mass
246.0018 Da
logP
4.01Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
182198-35-2
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl
InChIKey
WONOKVSIDWOIGC-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Chloro-5-phenylthieno[2,3-D]pyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-153 % similar 4-Chloro-5-phenyl-7H-pyrrolo[2,3-D]pyrimidine208459-81-853 % similar 4-Chloro-5-methylthieno[2,3-d]pyrimidine43088-67-151 % similar 4-Chloro-quinazoline5190-68-141 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-239 % similar 4,6-Dichloro-2,5-diphenylpyrimidine29133-99-137 % similar 4-Chlorothieno[3,2-D]pyrimidine16269-66-236 % similar 4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine108831-68-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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