(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol

C19H25NOS2 — CID 134930064

IUPAC(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](O)[C@H](Sc2ccccn2)SC(C)C)c(C)c1
InChIInChI=1S/C19H25NOS2/c1-12(2)22-19(23-16-8-6-7-9-20-16)18(21)17-14(4)10-13(3)11-15(17)5/h6-12,18-19,21H,1-5H3/t18-,19-/m0/s1
InChIKeyPUCOGDQFYKUVHI-OALUTQOASA-N
MW347.55 g/mol
LogP5.30
Rot. Bonds6

About (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol

(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 134930064) has the molecular formula C19H25NOS2 and a molecular weight of 347.55 g/mol. Its IUPAC name is (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID134930064
Molecular FormulaC19H25NOS2
Molecular Weight347.55 g/mol
Exact Mass347.14
IUPAC Name(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](O)[C@H](Sc2ccccn2)SC(C)C)c(C)c1
InChIInChI=1S/C19H25NOS2/c1-12(2)22-19(23-16-8-6-7-9-20-16)18(21)17-14(4)10-13(3)11-15(17)5/h6-12,18-19,21H,1-5H3/t18-,19-/m0/s1
InChIKeyPUCOGDQFYKUVHI-OALUTQOASA-N
XLogP5.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)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

(1R,2S)-2-methylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
CID 134929663
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 75850905
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(1S,2S)-2-tert-butylsulfanyl-1-naphthalen-2-yl-2-pyridin-2-ylsulfanylethanol
CID 134929230
(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol
CID 134930065
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol (CID 134930064) is (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c([C@H](O)[C@H](Sc2ccccn2)SC(C)C)c(C)c1.
What is the InChIKey of (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is PUCOGDQFYKUVHI-OALUTQOASA-N. The full InChI is InChI=1S/C19H25NOS2/c1-12(2)22-19(23-16-8-6-7-9-20-16)18(21)17-14(4)10-13(3)11-15(17)5/h6-12,18-19,21H,1-5H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol?
(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 347.55 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 134930064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).