2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine

C13H9ClN2S2 — CID 145172732

IUPAC2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine
SMILESCSc1ccccc1-c1csc2cnc(Cl)nc12
InChIInChI=1S/C13H9ClN2S2/c1-17-10-5-3-2-4-8(10)9-7-18-11-6-15-13(14)16-12(9)11/h2-7H,1H3
InChIKeyTUMPIDHIBOVCSX-UHFFFAOYSA-N
MW292.82 g/mol
LogP4.73
Rot. Bonds2

About 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine

2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine (PubChem CID 145172732) has the molecular formula C13H9ClN2S2 and a molecular weight of 292.82 g/mol. Its IUPAC name is 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine
PubChem CID145172732
Molecular FormulaC13H9ClN2S2
Molecular Weight292.82 g/mol
Exact Mass291.99
IUPAC Name2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine
SMILESCSc1ccccc1-c1csc2cnc(Cl)nc12
InChIInChI=1S/C13H9ClN2S2/c1-17-10-5-3-2-4-8(10)9-7-18-11-6-15-13(14)16-12(9)11/h2-7H,1H3
InChIKeyTUMPIDHIBOVCSX-UHFFFAOYSA-N
XLogP4.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine (CID 145172732) is 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine is CSc1ccccc1-c1csc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine?
The InChIKey is TUMPIDHIBOVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S2/c1-17-10-5-3-2-4-8(10)9-7-18-11-6-15-13(14)16-12(9)11/h2-7H,1H3.
What are the key properties of 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine?
2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine has a molecular weight of 292.82 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 145172732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).