2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol

C7H9ClN2OS2 — CID 80545723

IUPAC2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
SMILESCSc1nc(Cl)cc(SCCO)n1
InChIInChI=1S/C7H9ClN2OS2/c1-12-7-9-5(8)4-6(10-7)13-3-2-11/h4,11H,2-3H2,1H3
InChIKeyIVAIMOOUXCJCRJ-UHFFFAOYSA-N
MW236.75 g/mol
LogP1.94
Rot. Bonds4

About 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol

2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol (PubChem CID 80545723) has the molecular formula C7H9ClN2OS2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
PubChem CID80545723
Molecular FormulaC7H9ClN2OS2
Molecular Weight236.75 g/mol
Exact Mass235.98
IUPAC Name2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
SMILESCSc1nc(Cl)cc(SCCO)n1
InChIInChI=1S/C7H9ClN2OS2/c1-12-7-9-5(8)4-6(10-7)13-3-2-11/h4,11H,2-3H2,1H3
InChIKeyIVAIMOOUXCJCRJ-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80545629
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanylethanol
CID 62481203
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
4-chloro-2-methylsulfanyl-6-propylpyrimidine
CID 75132210
N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
CID 80888612
4-chloro-6-(3-methoxypropylsulfanyl)-2-methylpyrimidine
CID 63856300
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
CID 80936473
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol (CID 80545723) is 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol is CSc1nc(Cl)cc(SCCO)n1.
What is the InChIKey of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is IVAIMOOUXCJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS2/c1-12-7-9-5(8)4-6(10-7)13-3-2-11/h4,11H,2-3H2,1H3.
What are the key properties of 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol?
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 236.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80545723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).