5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride

C6H8Cl2N2S — CID 155145068

IUPAC5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride
SMILESCSc1ncc(CCl)cn1.Cl
InChIInChI=1S/C6H7ClN2S.ClH/c1-10-6-8-3-5(2-7)4-9-6;/h3-4H,2H2,1H3;1H
InChIKeyGLTSCHJJNYZMPO-UHFFFAOYSA-N
MW211.12 g/mol
LogP2.36
Rot. Bonds2

About 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride

5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride (PubChem CID 155145068) has the molecular formula C6H8Cl2N2S and a molecular weight of 211.12 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride
PubChem CID155145068
Molecular FormulaC6H8Cl2N2S
Molecular Weight211.12 g/mol
Exact Mass209.98
IUPAC Name5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride
SMILESCSc1ncc(CCl)cn1.Cl
InChIInChI=1S/C6H7ClN2S.ClH/c1-10-6-8-3-5(2-7)4-9-6;/h3-4H,2H2,1H3;1H
InChIKeyGLTSCHJJNYZMPO-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride (CID 155145068) is 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride is CSc1ncc(CCl)cn1.Cl.
What is the InChIKey of 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride?
The InChIKey is GLTSCHJJNYZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S.ClH/c1-10-6-8-3-5(2-7)4-9-6;/h3-4H,2H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride?
5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride has a molecular weight of 211.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methylsulfanylpyrimidine;hydrochloride is sourced from PubChem (CID 155145068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).