(4S)-4-propoxydithiane

C7H14OS2 — CID 144640871

IUPAC(4S)-4-propoxydithiane
SMILESCCCO[C@H]1CCSSC1
InChIInChI=1S/C7H14OS2/c1-2-4-8-7-3-5-9-10-6-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyMOYOBAHAVDCZKO-ZETCQYMHSA-N
MW178.32 g/mol
LogP2.57
Rot. Bonds3

About (4S)-4-propoxydithiane

(4S)-4-propoxydithiane (PubChem CID 144640871) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is (4S)-4-propoxydithiane.

Molecular Properties

Compound Name(4S)-4-propoxydithiane
PubChem CID144640871
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name(4S)-4-propoxydithiane
SMILESCCCO[C@H]1CCSSC1
InChIInChI=1S/C7H14OS2/c1-2-4-8-7-3-5-9-10-6-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyMOYOBAHAVDCZKO-ZETCQYMHSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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triethoxy-[2-[7-(2-triethoxysilylethoxy)dithiocan-4-yl]oxyethyl]silane
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3-ethoxythiolane
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1-chloro-3-propoxycyclobutane
CID 66344084
3-propoxycyclobutan-1-ol
CID 66343734
5-propoxycyclooctene
CID 77387390
(3R)-3-propoxypyrrolidine;hydrochloride
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ethane;4-propoxy-1-propylpiperidine
CID 156867917
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397
(3R)-3-propoxythiolane 1,1-dioxide
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1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propoxydithiane?
The IUPAC name of (4S)-4-propoxydithiane (CID 144640871) is (4S)-4-propoxydithiane.
What is the SMILES notation for (4S)-4-propoxydithiane?
The canonical SMILES for (4S)-4-propoxydithiane is CCCO[C@H]1CCSSC1.
What is the InChIKey of (4S)-4-propoxydithiane?
The InChIKey is MOYOBAHAVDCZKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14OS2/c1-2-4-8-7-3-5-9-10-6-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-propoxydithiane?
(4S)-4-propoxydithiane has a molecular weight of 178.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propoxydithiane is sourced from PubChem (CID 144640871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).