4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine

C11H8Cl2N2S — CID 66143757

IUPAC4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine
SMILESClc1ccc(SCc2nccc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-8-1-3-9(4-2-8)16-7-11-14-6-5-10(13)15-11/h1-6H,7H2
InChIKeyHGWXFANZXGUABO-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine

4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine (PubChem CID 66143757) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine
PubChem CID66143757
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine
SMILESClc1ccc(SCc2nccc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-8-1-3-9(4-2-8)16-7-11-14-6-5-10(13)15-11/h1-6H,7H2
InChIKeyHGWXFANZXGUABO-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine (CID 66143757) is 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine is Clc1ccc(SCc2nccc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine?
The InChIKey is HGWXFANZXGUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-8-1-3-9(4-2-8)16-7-11-14-6-5-10(13)15-11/h1-6H,7H2.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine?
4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine has a molecular weight of 271.17 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 66143757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).