(3R)-3-propyldithiolane

C6H12S2 — CID 13039504

IUPAC(3R)-3-propyldithiolane
SMILESCCC[C@@H]1CCSS1
InChIInChI=1S/C6H12S2/c1-2-3-6-4-5-7-8-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyORQQROQDLBJTFF-ZCFIWIBFSA-N
MW148.30 g/mol
LogP2.94
Rot. Bonds2

About (3R)-3-propyldithiolane

(3R)-3-propyldithiolane (PubChem CID 13039504) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is (3R)-3-propyldithiolane.

Molecular Properties

Compound Name(3R)-3-propyldithiolane
PubChem CID13039504
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name(3R)-3-propyldithiolane
SMILESCCC[C@@H]1CCSS1
InChIInChI=1S/C6H12S2/c1-2-3-6-4-5-7-8-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyORQQROQDLBJTFF-ZCFIWIBFSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Methyldisulfanyl)hexane
CID 536236
4,4-Dimethyl-1,2,3-trithiolane
CID 16664240
1,2-Dithiolane, 3-propyl-
CID 155530
3-Methyl-1,2-dithiolane
CID 525446
2,5-Hexanedithiol
CID 12272149
Dithiaoctane
CID 14942892
2,6-Dimercaptohexane
CID 18519069
Hexane-1,3-dithiol
CID 18522614
3-Ethyl-1,2-dithiolane
CID 18689485
Hexanedithiol
CID 19755190
1,2,4-Trithiohexane
CID 22937544
Trithianonane
CID 88299283

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyldithiolane?
The IUPAC name of (3R)-3-propyldithiolane (CID 13039504) is (3R)-3-propyldithiolane.
What is the SMILES notation for (3R)-3-propyldithiolane?
The canonical SMILES for (3R)-3-propyldithiolane is CCC[C@@H]1CCSS1.
What is the InChIKey of (3R)-3-propyldithiolane?
The InChIKey is ORQQROQDLBJTFF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12S2/c1-2-3-6-4-5-7-8-6/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-propyldithiolane?
(3R)-3-propyldithiolane has a molecular weight of 148.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyldithiolane is sourced from PubChem (CID 13039504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).