(1R,4S)-cyclohex-2-ene-1,4-dithiol

C6H10S2 — CID 15164592

IUPAC(1R,4S)-cyclohex-2-ene-1,4-dithiol
SMILESS[C@@H]1C=C[C@H](S)CC1
InChIInChI=1S/C6H10S2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6+
InChIKeyYKCSIBPXDRKQNZ-OLQVQODUSA-N
MW146.28 g/mol
LogP1.93
Rot. Bonds

About (1R,4S)-cyclohex-2-ene-1,4-dithiol

(1R,4S)-cyclohex-2-ene-1,4-dithiol (PubChem CID 15164592) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is (1R,4S)-cyclohex-2-ene-1,4-dithiol.

Molecular Properties

Compound Name(1R,4S)-cyclohex-2-ene-1,4-dithiol
PubChem CID15164592
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name(1R,4S)-cyclohex-2-ene-1,4-dithiol
SMILESS[C@@H]1C=C[C@H](S)CC1
InChIInChI=1S/C6H10S2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6+
InChIKeyYKCSIBPXDRKQNZ-OLQVQODUSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-cyclohex-2-ene-1,4-dithiol?
The IUPAC name of (1R,4S)-cyclohex-2-ene-1,4-dithiol (CID 15164592) is (1R,4S)-cyclohex-2-ene-1,4-dithiol.
What is the SMILES notation for (1R,4S)-cyclohex-2-ene-1,4-dithiol?
The canonical SMILES for (1R,4S)-cyclohex-2-ene-1,4-dithiol is S[C@@H]1C=C[C@H](S)CC1.
What is the InChIKey of (1R,4S)-cyclohex-2-ene-1,4-dithiol?
The InChIKey is YKCSIBPXDRKQNZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10S2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6+.
What are the key properties of (1R,4S)-cyclohex-2-ene-1,4-dithiol?
(1R,4S)-cyclohex-2-ene-1,4-dithiol has a molecular weight of 146.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-cyclohex-2-ene-1,4-dithiol is sourced from PubChem (CID 15164592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).