(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane

C10H16S2 — CID 124665905

IUPAC(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
SMILESC(=C\[C@H]1CCCS1)\[C@@H]1CCCS1
InChIInChI=1S/C10H16S2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h5-6,9-10H,1-4,7-8H2/b6-5-/t9-,10+
InChIKeyQKVNENWEZGAWQE-PHKQTQANSA-N
MW200.37 g/mol
LogP3.33
Rot. Bonds2

About (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane

(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane (PubChem CID 124665905) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane.

Molecular Properties

Compound Name(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
PubChem CID124665905
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane
SMILESC(=C\[C@H]1CCCS1)\[C@@H]1CCCS1
InChIInChI=1S/C10H16S2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h5-6,9-10H,1-4,7-8H2/b6-5-/t9-,10+
InChIKeyQKVNENWEZGAWQE-PHKQTQANSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-enylthiolane
CID 58476119
(2R)-2-[(E)-prop-1-enyl]thiolane
CID 129387762
2-[(E)-2-phenylethenyl]thiolane
CID 175715448
2-[3-[3-(thian-2-yl)prop-2-enoxy]prop-1-enyl]thiane
CID 139957168
(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine
CID 117265771
(2R)-thiolane-2-thiol
CID 88653030
6-chloro-1,5-dithionane
CID 101235939
2-(4-methylsulfonylphenyl)-6-[(Z)-2-(thiolan-2-yl)ethenyl]pyrazine
CID 156650528
2-[2-(thiolan-2-yl)cyclohexyl]thiolane
CID 173028007
5-(thiolan-2-yl)-2,3-dihydro-1H-pyrrole
CID 173158965
(2R)-thiolane-2-carbonitrile
CID 86312844
(2R)-2-ethylthiolane
CID 643409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane?
The IUPAC name of (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane (CID 124665905) is (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane.
What is the SMILES notation for (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane?
The canonical SMILES for (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane is C(=C\[C@H]1CCCS1)\[C@@H]1CCCS1.
What is the InChIKey of (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane?
The InChIKey is QKVNENWEZGAWQE-PHKQTQANSA-N. The full InChI is InChI=1S/C10H16S2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h5-6,9-10H,1-4,7-8H2/b6-5-/t9-,10+.
What are the key properties of (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane?
(2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane has a molecular weight of 200.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-2-[(2R)-thiolan-2-yl]ethenyl]thiolane is sourced from PubChem (CID 124665905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).