4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine

C15H12Cl2N2S2 — CID 43146932

IUPAC4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CSc3ccccc3Cl)nc(Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2S2/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3
InChIKeyTZPBTUKINILEGP-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.91
Rot. Bonds3

About 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 43146932) has the molecular formula C15H12Cl2N2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID43146932
Molecular FormulaC15H12Cl2N2S2
Molecular Weight355.32 g/mol
Exact Mass353.98
IUPAC Name4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(CSc3ccccc3Cl)nc(Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2S2/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3
InChIKeyTZPBTUKINILEGP-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 43146932) is 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2nc(CSc3ccccc3Cl)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is TZPBTUKINILEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S2/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 355.32 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 43146932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).