2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol

C16H18Cl2N2OS — CID 143395595

IUPAC2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol
SMILESCc1nnc(Sc2c(Cl)cc(CCO)cc2Cl)cc1C(C)C
InChIInChI=1S/C16H18Cl2N2OS/c1-9(2)12-8-15(20-19-10(12)3)22-16-13(17)6-11(4-5-21)7-14(16)18/h6-9,21H,4-5H2,1-3H3
InChIKeyXRYIOTUCCVOPPI-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.90
Rot. Bonds5

About 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol

2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol (PubChem CID 143395595) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol
PubChem CID143395595
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol
SMILESCc1nnc(Sc2c(Cl)cc(CCO)cc2Cl)cc1C(C)C
InChIInChI=1S/C16H18Cl2N2OS/c1-9(2)12-8-15(20-19-10(12)3)22-16-13(17)6-11(4-5-21)7-14(16)18/h6-9,21H,4-5H2,1-3H3
InChIKeyXRYIOTUCCVOPPI-UHFFFAOYSA-N
XLogP4.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

[3,5-Dichloro-4-(6-chloro-5-isopropyl-pyridazin-3-ylsulfanyl)-phenyl]-acetic acid
CID 59834466
[3,5-Dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]methanol
CID 59834488
2-[3,5-Dichloro-4-(6-chloro-5-isopropyl-pyridazin-3-ylsulfanyl)-phenyl]-ethanol
CID 59834489
2-[3,5-Dichloro-4-[(6-chloro-5-propan-2-ylpyridazin-3-yl)methyl]phenyl]ethanol
CID 89028472
2-[3,5-Dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol;ethane
CID 143395631
6-[4-(2-Bromoethyl)-2,6-dichlorophenyl]sulfanyl-3-methyl-4-propan-2-ylpyridazine
CID 143395648
3-[3,5-Dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]propanenitrile
CID 143395664
[4-[(6-Chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol
CID 104514411
3-chloro-6-[2,6-dichloro-4-(4H-triazol-5-ylmethyl)phenyl]sulfanyl-4-propan-2-ylpyridazine
CID 161488238

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol?
The IUPAC name of 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol (CID 143395595) is 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol.
What is the SMILES notation for 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol?
The canonical SMILES for 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol is Cc1nnc(Sc2c(Cl)cc(CCO)cc2Cl)cc1C(C)C.
What is the InChIKey of 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol?
The InChIKey is XRYIOTUCCVOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-9(2)12-8-15(20-19-10(12)3)22-16-13(17)6-11(4-5-21)7-14(16)18/h6-9,21H,4-5H2,1-3H3.
What are the key properties of 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol?
2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol has a molecular weight of 357.31 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol is sourced from PubChem (CID 143395595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).