4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine

C15H13ClN2S2 — CID 962610

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(SCc3ccc(Cl)cc3)ncnc2s1
InChIInChI=1S/C15H13ClN2S2/c1-2-12-7-13-14(17-9-18-15(13)20-12)19-8-10-3-5-11(16)6-4-10/h3-7,9H,2,8H2,1H3
InChIKeyNNJPSZHLIBGLSF-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.20
Rot. Bonds4

About 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine

4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 962610) has the molecular formula C15H13ClN2S2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
PubChem CID962610
Molecular FormulaC15H13ClN2S2
Molecular Weight320.87 g/mol
Exact Mass320.02
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(SCc3ccc(Cl)cc3)ncnc2s1
InChIInChI=1S/C15H13ClN2S2/c1-2-12-7-13-14(17-9-18-15(13)20-12)19-8-10-3-5-11(16)6-4-10/h3-7,9H,2,8H2,1H3
InChIKeyNNJPSZHLIBGLSF-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
5-(4-Bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
CID 938877
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2531878
4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
CID 290212

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine (CID 962610) is 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(SCc3ccc(Cl)cc3)ncnc2s1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is NNJPSZHLIBGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2/c1-2-12-7-13-14(17-9-18-15(13)20-12)19-8-10-3-5-11(16)6-4-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine?
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 320.87 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 962610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).