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

C9H10OS6 — CID 71353975

IUPAC[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
SMILESCSC1=C(SC)SC(=C2SC=C(CO)S2)S1
InChIInChI=1S/C9H10OS6/c1-11-6-7(12-2)16-9(15-6)8-13-4-5(3-10)14-8/h4,10H,3H2,1-2H3
InChIKeyAIEWAOHEZPVLLX-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.76
Rot. Bonds3

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

[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol (PubChem CID 71353975) has the molecular formula C9H10OS6 and a molecular weight of 326.58 g/mol. Its IUPAC name is [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
PubChem CID71353975
Molecular FormulaC9H10OS6
Molecular Weight326.58 g/mol
Exact Mass325.91
IUPAC Name[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
SMILESCSC1=C(SC)SC(=C2SC=C(CO)S2)S1
InChIInChI=1S/C9H10OS6/c1-11-6-7(12-2)16-9(15-6)8-13-4-5(3-10)14-8/h4,10H,3H2,1-2H3
InChIKeyAIEWAOHEZPVLLX-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol (CID 71353975) is [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol is CSC1=C(SC)SC(=C2SC=C(CO)S2)S1.
What is the InChIKey of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol?
The InChIKey is AIEWAOHEZPVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS6/c1-11-6-7(12-2)16-9(15-6)8-13-4-5(3-10)14-8/h4,10H,3H2,1-2H3.
What are the key properties of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol?
[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol has a molecular weight of 326.58 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 71353975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).