(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole

C14H12S2 — CID 101069457

IUPAC(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole
SMILESC1=CCC(/C=C2\SC=C(C3=CC=CC3)S2)=C1
InChIInChI=1S/C14H12S2/c1-2-6-11(5-1)9-14-15-10-13(16-14)12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b14-9+
InChIKeyYJRSTPANIVDASF-NTEUORMPSA-N
MW244.38 g/mol
LogP4.92
Rot. Bonds2

About (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole

(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole (PubChem CID 101069457) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole.

Molecular Properties

Compound Name(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole
PubChem CID101069457
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole
SMILESC1=CCC(/C=C2\SC=C(C3=CC=CC3)S2)=C1
InChIInChI=1S/C14H12S2/c1-2-6-11(5-1)9-14-15-10-13(16-14)12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b14-9+
InChIKeyYJRSTPANIVDASF-NTEUORMPSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole with MolForge

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Related Compounds

2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
CID 15842643
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710057
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
CID 177495659
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
1-[(E)-cyclopent-2-en-1-ylidenemethyl]cyclopenta-1,3-diene
CID 177466863
(6Z)-1-cyclopenta-1,3-dien-1-yl-6-propylidenecyclohexa-1,3-diene
CID 163899779
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
CID 13417814
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597

Frequently Asked Questions

What is the IUPAC name of (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole?
The IUPAC name of (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole (CID 101069457) is (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole.
What is the SMILES notation for (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole?
The canonical SMILES for (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole is C1=CCC(/C=C2\SC=C(C3=CC=CC3)S2)=C1.
What is the InChIKey of (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole?
The InChIKey is YJRSTPANIVDASF-NTEUORMPSA-N. The full InChI is InChI=1S/C14H12S2/c1-2-6-11(5-1)9-14-15-10-13(16-14)12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b14-9+.
What are the key properties of (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole?
(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole has a molecular weight of 244.38 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole is sourced from PubChem (CID 101069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).