(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol

C8H16OS — CID 170153725

IUPAC(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol
SMILESC[C@@H](O)CC#CS(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(9)6-5-7-10(2,3)4/h8-9H,6H2,1-4H3/t8-/m1/s1
InChIKeyCRWXGLKDLDTRIY-MRVPVSSYSA-N
MW160.28 g/mol
LogP1.41
Rot. Bonds1

About (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol

(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol (PubChem CID 170153725) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol
PubChem CID170153725
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol
SMILESC[C@@H](O)CC#CS(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(9)6-5-7-10(2,3)4/h8-9H,6H2,1-4H3/t8-/m1/s1
InChIKeyCRWXGLKDLDTRIY-MRVPVSSYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-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 (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol?
The IUPAC name of (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol (CID 170153725) is (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol.
What is the SMILES notation for (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol?
The canonical SMILES for (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol is C[C@@H](O)CC#CS(C)(C)C.
What is the InChIKey of (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol?
The InChIKey is CRWXGLKDLDTRIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(9)6-5-7-10(2,3)4/h8-9H,6H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol?
(2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol has a molecular weight of 160.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(trimethyl-λ4-sulfanyl)pent-4-yn-2-ol is sourced from PubChem (CID 170153725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).