4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine

C14H11ClN2S2 — CID 3824853

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(SCc3ccc(Cl)cc3)ncnc12
InChIInChI=1S/C14H11ClN2S2/c1-9-6-18-13-12(9)16-8-17-14(13)19-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3
InChIKeyGXFHNCUIOFOLCX-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.95
Rot. Bonds3

About 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine

4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine (PubChem CID 3824853) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
PubChem CID3824853
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(SCc3ccc(Cl)cc3)ncnc12
InChIInChI=1S/C14H11ClN2S2/c1-9-6-18-13-12(9)16-8-17-14(13)19-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3
InChIKeyGXFHNCUIOFOLCX-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine (CID 3824853) is 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine is Cc1csc2c(SCc3ccc(Cl)cc3)ncnc12.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is GXFHNCUIOFOLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-9-6-18-13-12(9)16-8-17-14(13)19-7-10-2-4-11(15)5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine?
4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 306.84 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 3824853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).