cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane

C21H28S2 — CID 142593436

IUPACcyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane
SMILESCS(C)(C1C=CC=C1)S(C)(C)C1C=Cc2cc3c(cc21)CCC3
InChIInChI=1S/C21H28S2/c1-22(2,19-10-5-6-11-19)23(3,4)21-13-12-18-14-16-8-7-9-17(16)15-20(18)21/h5-6,10-15,19,21H,7-9H2,1-4H3
InChIKeyOVHUVKQGOJOBJW-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.78
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane

cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane (PubChem CID 142593436) has the molecular formula C21H28S2 and a molecular weight of 344.59 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane
PubChem CID142593436
Molecular FormulaC21H28S2
Molecular Weight344.59 g/mol
Exact Mass344.16
IUPAC Namecyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane
SMILESCS(C)(C1C=CC=C1)S(C)(C)C1C=Cc2cc3c(cc21)CCC3
InChIInChI=1S/C21H28S2/c1-22(2,19-10-5-6-11-19)23(3,4)21-13-12-18-14-16-8-7-9-17(16)15-20(18)21/h5-6,10-15,19,21H,7-9H2,1-4H3
InChIKeyOVHUVKQGOJOBJW-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 58581350
hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 175279350
5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
CID 175279096
3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
CID 175279082
6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene
CID 173176068
chloro-(2,3-dimethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-dimethylsilane
CID 18468872
N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
CID 113319273
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
CID 43537687
(5S)-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483234
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483235
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
CID 102138920

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane (CID 142593436) is cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane is CS(C)(C1C=CC=C1)S(C)(C)C1C=Cc2cc3c(cc21)CCC3.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane?
The InChIKey is OVHUVKQGOJOBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28S2/c1-22(2,19-10-5-6-11-19)23(3,4)21-13-12-18-14-16-8-7-9-17(16)15-20(18)21/h5-6,10-15,19,21H,7-9H2,1-4H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane?
cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane has a molecular weight of 344.59 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane is sourced from PubChem (CID 142593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).