4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine

C12H7ClN2S2 — CID 2809167

IUPAC4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine
SMILESClc1ccc(Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C12H7ClN2S2/c13-8-1-3-9(4-2-8)17-12-11-10(5-6-16-11)14-7-15-12/h1-7H
InChIKeyCLOWJDJTWZWUPN-UHFFFAOYSA-N
MW278.79 g/mol
LogP4.50
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine

4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine (PubChem CID 2809167) has the molecular formula C12H7ClN2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine
PubChem CID2809167
Molecular FormulaC12H7ClN2S2
Molecular Weight278.79 g/mol
Exact Mass277.97
IUPAC Name4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine
SMILESClc1ccc(Sc2ncnc3ccsc23)cc1
InChIInChI=1S/C12H7ClN2S2/c13-8-1-3-9(4-2-8)17-12-11-10(5-6-16-11)14-7-15-12/h1-7H
InChIKeyCLOWJDJTWZWUPN-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine (CID 2809167) is 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine is Clc1ccc(Sc2ncnc3ccsc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine?
The InChIKey is CLOWJDJTWZWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S2/c13-8-1-3-9(4-2-8)17-12-11-10(5-6-16-11)14-7-15-12/h1-7H.
What are the key properties of 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine?
4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine has a molecular weight of 278.79 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 2809167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).