(4R)-4-but-3-ynyl-5-ethyldithiane

C10H16S2 — CID 146303765

IUPAC(4R)-4-but-3-ynyl-5-ethyldithiane
SMILESC#CCC[C@H]1CSSCC1CC
InChIInChI=1S/C10H16S2/c1-3-5-6-10-8-12-11-7-9(10)4-2/h1,9-10H,4-8H2,2H3/t9?,10-/m0/s1
InChIKeyFVTORBRAPYCNFA-AXDSSHIGSA-N
MW200.37 g/mol
LogP3.44
Rot. Bonds3

About (4R)-4-but-3-ynyl-5-ethyldithiane

(4R)-4-but-3-ynyl-5-ethyldithiane (PubChem CID 146303765) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (4R)-4-but-3-ynyl-5-ethyldithiane.

Molecular Properties

Compound Name(4R)-4-but-3-ynyl-5-ethyldithiane
PubChem CID146303765
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name(4R)-4-but-3-ynyl-5-ethyldithiane
SMILESC#CCC[C@H]1CSSCC1CC
InChIInChI=1S/C10H16S2/c1-3-5-6-10-8-12-11-7-9(10)4-2/h1,9-10H,4-8H2,2H3/t9?,10-/m0/s1
InChIKeyFVTORBRAPYCNFA-AXDSSHIGSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-but-3-ynyl-5-ethyldithiane?
The IUPAC name of (4R)-4-but-3-ynyl-5-ethyldithiane (CID 146303765) is (4R)-4-but-3-ynyl-5-ethyldithiane.
What is the SMILES notation for (4R)-4-but-3-ynyl-5-ethyldithiane?
The canonical SMILES for (4R)-4-but-3-ynyl-5-ethyldithiane is C#CCC[C@H]1CSSCC1CC.
What is the InChIKey of (4R)-4-but-3-ynyl-5-ethyldithiane?
The InChIKey is FVTORBRAPYCNFA-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H16S2/c1-3-5-6-10-8-12-11-7-9(10)4-2/h1,9-10H,4-8H2,2H3/t9?,10-/m0/s1.
What are the key properties of (4R)-4-but-3-ynyl-5-ethyldithiane?
(4R)-4-but-3-ynyl-5-ethyldithiane has a molecular weight of 200.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-but-3-ynyl-5-ethyldithiane is sourced from PubChem (CID 146303765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).