2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol

C10H10OS7 — CID 11036059

IUPAC2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=CSC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H10OS7/c11-1-2-12-6-5-15-9(16-6)10-17-7-8(18-10)14-4-3-13-7/h5,11H,1-4H2
InChIKeyGWMWHWGBVGHALQ-UHFFFAOYSA-N
MW370.66 g/mol
LogP5.20
Rot. Bonds3

About 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol

2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol (PubChem CID 11036059) has the molecular formula C10H10OS7 and a molecular weight of 370.66 g/mol. Its IUPAC name is 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
PubChem CID11036059
Molecular FormulaC10H10OS7
Molecular Weight370.66 g/mol
Exact Mass369.88
IUPAC Name2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=CSC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H10OS7/c11-1-2-12-6-5-15-9(16-6)10-17-7-8(18-10)14-4-3-13-7/h5,11H,1-4H2
InChIKeyGWMWHWGBVGHALQ-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol 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

[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol
CID 10860335
2-[[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10647066
2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10883227
2-[[2-(1,3-Dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11728012
2-[[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11778439
2-[[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 15332313

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol (CID 11036059) is 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol is OCCSC1=CSC(=C2SC3=C(SCCS3)S2)S1.
What is the InChIKey of 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The InChIKey is GWMWHWGBVGHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS7/c11-1-2-12-6-5-15-9(16-6)10-17-7-8(18-10)14-4-3-13-7/h5,11H,1-4H2.
What are the key properties of 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol has a molecular weight of 370.66 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 11036059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).