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

C7H9Cl2N3OS — CID 66105828

IUPAC3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3OS/c1-4(2-13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3
InChIKeyAWCCRKKPVXTDQL-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.90
Rot. Bonds4

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

3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66105828) has the molecular formula C7H9Cl2N3OS and a molecular weight of 254.14 g/mol. Its IUPAC name is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66105828
Molecular FormulaC7H9Cl2N3OS
Molecular Weight254.14 g/mol
Exact Mass252.98
IUPAC Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3OS/c1-4(2-13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3
InChIKeyAWCCRKKPVXTDQL-UHFFFAOYSA-N
XLogP1.90
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol (CID 66105828) is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is AWCCRKKPVXTDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3OS/c1-4(2-13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3.
What are the key properties of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 254.14 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66105828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).