[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

C11H12O2S6 — CID 89215920

IUPAC[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESCCC1SC2=C(SC(=C3SC(CO)=C(CO)S3)S2)S1
InChIInChI=1S/C11H12O2S6/c1-2-7-16-9-10(17-7)19-11(18-9)8-14-5(3-12)6(4-13)15-8/h7,12-13H,2-4H2,1H3
InChIKeyMMGFQWRLDICXNW-UHFFFAOYSA-N
MW368.62 g/mol
LogP4.61
Rot. Bonds3

About [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (PubChem CID 89215920) has the molecular formula C11H12O2S6 and a molecular weight of 368.62 g/mol. Its IUPAC name is [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
PubChem CID89215920
Molecular FormulaC11H12O2S6
Molecular Weight368.62 g/mol
Exact Mass367.92
IUPAC Name[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESCCC1SC2=C(SC(=C3SC(CO)=C(CO)S3)S2)S1
InChIInChI=1S/C11H12O2S6/c1-2-7-16-9-10(17-7)19-11(18-9)8-14-5(3-12)6(4-13)15-8/h7,12-13H,2-4H2,1H3
InChIKeyMMGFQWRLDICXNW-UHFFFAOYSA-N
XLogP4.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (CID 89215920) is [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is CCC1SC2=C(SC(=C3SC(CO)=C(CO)S3)S2)S1.
What is the InChIKey of [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is MMGFQWRLDICXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S6/c1-2-7-16-9-10(17-7)19-11(18-9)8-14-5(3-12)6(4-13)15-8/h7,12-13H,2-4H2,1H3.
What are the key properties of [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
[2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 368.62 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 89215920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).