2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid

C5H3Cl2N3O2S — CID 14512350

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O2S/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12)
InChIKeyHQXSZXFLLFETDK-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.36
Rot. Bonds3

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid

2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid (PubChem CID 14512350) has the molecular formula C5H3Cl2N3O2S and a molecular weight of 240.07 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid
PubChem CID14512350
Molecular FormulaC5H3Cl2N3O2S
Molecular Weight240.07 g/mol
Exact Mass238.93
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O2S/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12)
InChIKeyHQXSZXFLLFETDK-UHFFFAOYSA-N
XLogP1.36
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid (CID 14512350) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The InChIKey is HQXSZXFLLFETDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O2S/c6-3-8-4(7)10-5(9-3)13-1-2(11)12/h1H2,(H,11,12).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid has a molecular weight of 240.07 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 14512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).