trans-(1R,3R)-cyclopentane-1,3-dithiol

C5H10S2 — CID 166953559

IUPACtrans-(1R,3R)-cyclopentane-1,3-dithiol
SMILESS[C@@H]1CC[C@@H](S)C1
InChIInChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m1/s1
InChIKeyCQPPUPSVCDHKKX-RFZPGFLSSA-N
MW134.27 g/mol
LogP1.77
Rot. Bonds

About trans-(1R,3R)-cyclopentane-1,3-dithiol

trans-(1R,3R)-cyclopentane-1,3-dithiol (PubChem CID 166953559) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is trans-(1R,3R)-cyclopentane-1,3-dithiol.

Molecular Properties

Compound Nametrans-(1R,3R)-cyclopentane-1,3-dithiol
PubChem CID166953559
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Nametrans-(1R,3R)-cyclopentane-1,3-dithiol
SMILESS[C@@H]1CC[C@@H](S)C1
InChIInChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m1/s1
InChIKeyCQPPUPSVCDHKKX-RFZPGFLSSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-cyclopentane-1,3-dithiol?
The IUPAC name of trans-(1R,3R)-cyclopentane-1,3-dithiol (CID 166953559) is trans-(1R,3R)-cyclopentane-1,3-dithiol.
What is the SMILES notation for trans-(1R,3R)-cyclopentane-1,3-dithiol?
The canonical SMILES for trans-(1R,3R)-cyclopentane-1,3-dithiol is S[C@@H]1CC[C@@H](S)C1.
What is the InChIKey of trans-(1R,3R)-cyclopentane-1,3-dithiol?
The InChIKey is CQPPUPSVCDHKKX-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,3R)-cyclopentane-1,3-dithiol?
trans-(1R,3R)-cyclopentane-1,3-dithiol has a molecular weight of 134.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-cyclopentane-1,3-dithiol is sourced from PubChem (CID 166953559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).