2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole

C13H10S2 — CID 15842643

IUPAC2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
SMILESC1=CCC(C=C2Sc3ccccc3S2)=C1
InChIInChI=1S/C13H10S2/c1-2-6-10(5-1)9-13-14-11-7-3-4-8-12(11)15-13/h1-5,7-9H,6H2
InChIKeyCZJRCRQWBWCGJN-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.61
Rot. Bonds1

About 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole

2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole (PubChem CID 15842643) has the molecular formula C13H10S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole.

Molecular Properties

Compound Name2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
PubChem CID15842643
Molecular FormulaC13H10S2
Molecular Weight230.36 g/mol
Exact Mass230.02
IUPAC Name2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole
SMILESC1=CCC(C=C2Sc3ccccc3S2)=C1
InChIInChI=1S/C13H10S2/c1-2-6-10(5-1)9-13-14-11-7-3-4-8-12(11)15-13/h1-5,7-9H,6H2
InChIKeyCZJRCRQWBWCGJN-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-4-cyclopenta-1,3-dien-1-yl-2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-dithiole
CID 101069457
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
CID 13417814
1-[(E)-cyclopent-2-en-1-ylidenemethyl]cyclopenta-1,3-diene
CID 177466863
4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole
CID 11807088
2-[(4-bromophenyl)methylidene]-1,3-benzodithiole
CID 102284509
1-chloro-2-(3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienyl)benzene
CID 176545927
2-[(2E,4E,6E)-8-(1,3-benzodithiol-2-ylidene)octa-2,4,6-trienylidene]-1,3-benzodithiole
CID 101260755
2,6-bis[(Z)-2-cyclopenta-1,3-dien-1-ylethenyl]pyridine
CID 101013557
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
CID 177495659
CID 160621349
CID 160621349
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710057
2-[[5-(1,3-benzodithiol-2-ylidenemethyl)-2-[2-(1,3-benzodithiol-2-ylidene)-1-(4-methylphenyl)ethylidene]-1,3-dithiol-4-yl]methylidene]-1,3-benzodithiole
CID 102020168

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole?
The IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole (CID 15842643) is 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole.
What is the SMILES notation for 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole?
The canonical SMILES for 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole is C1=CCC(C=C2Sc3ccccc3S2)=C1.
What is the InChIKey of 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole?
The InChIKey is CZJRCRQWBWCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S2/c1-2-6-10(5-1)9-13-14-11-7-3-4-8-12(11)15-13/h1-5,7-9H,6H2.
What are the key properties of 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole?
2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole has a molecular weight of 230.36 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-dien-1-ylmethylidene)-1,3-benzodithiole is sourced from PubChem (CID 15842643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).