(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide

C11H12O2S2 — CID 10421779

IUPAC(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
SMILESO=[S@]1CC[S@](=O)C1/C=C/c1ccccc1
InChIInChI=1S/C11H12O2S2/c12-14-8-9-15(13)11(14)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+/t14-,15-/m0/s1
InChIKeyZQOPNZMFMXNVJL-KXLSMFKISA-N
MW240.35 g/mol
LogP1.54
Rot. Bonds2

About (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide

(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide (PubChem CID 10421779) has the molecular formula C11H12O2S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide.

Molecular Properties

Compound Name(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
PubChem CID10421779
Molecular FormulaC11H12O2S2
Molecular Weight240.35 g/mol
Exact Mass240.03
IUPAC Name(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
SMILESO=[S@]1CC[S@](=O)C1/C=C/c1ccccc1
InChIInChI=1S/C11H12O2S2/c12-14-8-9-15(13)11(14)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+/t14-,15-/m0/s1
InChIKeyZQOPNZMFMXNVJL-KXLSMFKISA-N
XLogP1.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
disodium;hydride;(E)-stilbene
CID 173089328
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
CID 70569152
CID 70569152
CID 70567885
CID 70567885
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
CID 148518460
CID 148518460
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide?
The IUPAC name of (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide (CID 10421779) is (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide.
What is the SMILES notation for (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide?
The canonical SMILES for (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide is O=[S@]1CC[S@](=O)C1/C=C/c1ccccc1.
What is the InChIKey of (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide?
The InChIKey is ZQOPNZMFMXNVJL-KXLSMFKISA-N. The full InChI is InChI=1S/C11H12O2S2/c12-14-8-9-15(13)11(14)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+/t14-,15-/m0/s1.
What are the key properties of (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide?
(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide has a molecular weight of 240.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide is sourced from PubChem (CID 10421779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).