2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole

C10H14S4 — CID 129190525

IUPAC2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(C2SC(C)=C(C)S2)S1
InChIInChI=1S/C10H14S4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h9-10H,1-4H3
InChIKeyQPKWZKLSIPIYSM-UHFFFAOYSA-N
MW262.49 g/mol
LogP5.10
Rot. Bonds1

About 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole

2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole (PubChem CID 129190525) has the molecular formula C10H14S4 and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole
PubChem CID129190525
Molecular FormulaC10H14S4
Molecular Weight262.49 g/mol
Exact Mass262.00
IUPAC Name2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(C2SC(C)=C(C)S2)S1
InChIInChI=1S/C10H14S4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h9-10H,1-4H3
InChIKeyQPKWZKLSIPIYSM-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole?
The IUPAC name of 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole (CID 129190525) is 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole?
The canonical SMILES for 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole is CC1=C(C)SC(C2SC(C)=C(C)S2)S1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole?
The InChIKey is QPKWZKLSIPIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h9-10H,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole?
2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole has a molecular weight of 262.49 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-dithiol-2-yl)-4,5-dimethyl-1,3-dithiole is sourced from PubChem (CID 129190525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).