2-ethylidene-1,3-benzodithiole

C9H8S2 — CID 10261719

IUPAC2-ethylidene-1,3-benzodithiole
SMILESCC=C1Sc2ccccc2S1
InChIInChI=1S/C9H8S2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H,1H3
InChIKeyRHMHMLUTNUDYIU-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.75
Rot. Bonds

About 2-ethylidene-1,3-benzodithiole

2-ethylidene-1,3-benzodithiole (PubChem CID 10261719) has the molecular formula C9H8S2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-ethylidene-1,3-benzodithiole.

Molecular Properties

Compound Name2-ethylidene-1,3-benzodithiole
PubChem CID10261719
Molecular FormulaC9H8S2
Molecular Weight180.30 g/mol
Exact Mass180.01
IUPAC Name2-ethylidene-1,3-benzodithiole
SMILESCC=C1Sc2ccccc2S1
InChIInChI=1S/C9H8S2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H,1H3
InChIKeyRHMHMLUTNUDYIU-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1,3-benzodithiole?
The IUPAC name of 2-ethylidene-1,3-benzodithiole (CID 10261719) is 2-ethylidene-1,3-benzodithiole.
What is the SMILES notation for 2-ethylidene-1,3-benzodithiole?
The canonical SMILES for 2-ethylidene-1,3-benzodithiole is CC=C1Sc2ccccc2S1.
What is the InChIKey of 2-ethylidene-1,3-benzodithiole?
The InChIKey is RHMHMLUTNUDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h2-6H,1H3.
What are the key properties of 2-ethylidene-1,3-benzodithiole?
2-ethylidene-1,3-benzodithiole has a molecular weight of 180.30 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1,3-benzodithiole is sourced from PubChem (CID 10261719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).