2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol

C10H12OS7 — CID 10883227

IUPAC2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESCSC1=C(SC)SC(=C2SC=C(SCCO)S2)S1
InChIInChI=1S/C10H12OS7/c1-12-7-8(13-2)18-10(17-7)9-15-5-6(16-9)14-4-3-11/h5,11H,3-4H2,1-2H3
InChIKeyMOLFPENVTLHLLY-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.45
Rot. Bonds5

About 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol

2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol (PubChem CID 10883227) has the molecular formula C10H12OS7 and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
PubChem CID10883227
Molecular FormulaC10H12OS7
Molecular Weight372.67 g/mol
Exact Mass371.89
IUPAC Name2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESCSC1=C(SC)SC(=C2SC=C(SCCO)S2)S1
InChIInChI=1S/C10H12OS7/c1-12-7-8(13-2)18-10(17-7)9-15-5-6(16-9)14-4-3-11/h5,11H,3-4H2,1-2H3
InChIKeyMOLFPENVTLHLLY-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

{2-[4,5-Bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 71353975
2-[[(2E)-4-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 10876086
4-(2-Hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
CID 11010596
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
2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 11071882
2-[[(2E)-2-[4-(2-hydroxyethylsulfanyl)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11315132
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11416028
2-[[(2E)-5-methyl-2-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11439651
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
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 15365175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol (CID 10883227) is 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol is CSC1=C(SC)SC(=C2SC=C(SCCO)S2)S1.
What is the InChIKey of 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol?
The InChIKey is MOLFPENVTLHLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS7/c1-12-7-8(13-2)18-10(17-7)9-15-5-6(16-9)14-4-3-11/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol?
2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol has a molecular weight of 372.67 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 10883227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).