5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole

C9H8S8 — CID 14289936

IUPAC5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESCSC1=C(SC)SC(=C2SC3=C(SCS3)S2)S1
InChIInChI=1S/C9H8S8/c1-10-4-5(11-2)15-8(14-4)9-16-6-7(17-9)13-3-12-6/h3H2,1-2H3
InChIKeyPJIPIONWEKSFAX-UHFFFAOYSA-N
MW372.70 g/mol
LogP6.49
Rot. Bonds2

About 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole

5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole (PubChem CID 14289936) has the molecular formula C9H8S8 and a molecular weight of 372.70 g/mol. Its IUPAC name is 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole.

Molecular Properties

Compound Name5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
PubChem CID14289936
Molecular FormulaC9H8S8
Molecular Weight372.70 g/mol
Exact Mass371.84
IUPAC Name5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
SMILESCSC1=C(SC)SC(=C2SC3=C(SCS3)S2)S1
InChIInChI=1S/C9H8S8/c1-10-4-5(11-2)15-8(14-4)9-16-6-7(17-9)13-3-12-6/h3H2,1-2H3
InChIKeyPJIPIONWEKSFAX-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole with MolForge

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Related Compounds

Tetrakis(methylthio)tetrathiafulvalene
CID 633638
2,5-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
CID 12125686
Bmt-ttp
CID 101470747
2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
CID 12963675
2,5-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]diselenolo[4,5-d][1,3]dithiole
CID 9548917
2,5-Bis[4,5-bis(methylsulfanyl)-1,3-diselenol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
CID 9548918
5-[4,5-Bis(methylselanyl)-1,3-diselenol-2-ylidene]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole
CID 9548919
5-[4,5-Bis(methylsulfanyl)-1,3-diselenol-2-ylidene]-[1,3]diselenolo[4,5-d][1,3]dithiole
CID 12104711
5-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]diselenolo[4,5-d][1,3]dithiole
CID 12104713
5-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-([1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
CID 14948443
2-[4,5-Bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
CID 15505159
2-[5-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-1,3-dithiole-4,5-dithiol
CID 101006825

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The IUPAC name of 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole (CID 14289936) is 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole.
What is the SMILES notation for 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The canonical SMILES for 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole is CSC1=C(SC)SC(=C2SC3=C(SCS3)S2)S1.
What is the InChIKey of 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
The InChIKey is PJIPIONWEKSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S8/c1-10-4-5(11-2)15-8(14-4)9-16-6-7(17-9)13-3-12-6/h3H2,1-2H3.
What are the key properties of 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole?
5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole has a molecular weight of 372.70 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole is sourced from PubChem (CID 14289936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).