2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane

C12H12S2 — CID 12676372

IUPAC2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane
SMILESC(/C=C/c1ccccc1)=C1SCCS1
InChIInChI=1S/C12H12S2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-8H,9-10H2/b7-4+
InChIKeyYMOOWNMZNDWCRC-QPJJXVBHSA-N
MW220.36 g/mol
LogP4.02
Rot. Bonds2

About 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane

2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane (PubChem CID 12676372) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane
PubChem CID12676372
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane
SMILESC(/C=C/c1ccccc1)=C1SCCS1
InChIInChI=1S/C12H12S2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-8H,9-10H2/b7-4+
InChIKeyYMOOWNMZNDWCRC-QPJJXVBHSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(E)-3-cyclohexylideneprop-1-enyl]benzene
CID 10878135
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
2-chloroethenylbenzene;copper
CID 174819686
2-cinnamylidene-5-(1,3-dithian-2-ylidene)cyclopentan-1-one
CID 78146457
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
CID 23124540
CID 23124540
CID 11087023
CID 11087023

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane?
The IUPAC name of 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane (CID 12676372) is 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane is C(/C=C/c1ccccc1)=C1SCCS1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane?
The InChIKey is YMOOWNMZNDWCRC-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H12S2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-8H,9-10H2/b7-4+.
What are the key properties of 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane?
2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane has a molecular weight of 220.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enylidene]-1,3-dithiolane is sourced from PubChem (CID 12676372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).