ethane;2-methylidene-1,3-benzodithiole

C10H12S2 — CID 90758007

IUPACethane;2-methylidene-1,3-benzodithiole
SMILESC=C1Sc2ccccc2S1.CC
InChIInChI=1S/C8H6S2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2-5H,1H2;1-2H3
InChIKeyDLFSSJNOFGJEQK-UHFFFAOYSA-N
MW196.34 g/mol
LogP4.38
Rot. Bonds

About ethane;2-methylidene-1,3-benzodithiole

ethane;2-methylidene-1,3-benzodithiole (PubChem CID 90758007) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;2-methylidene-1,3-benzodithiole.

Molecular Properties

Compound Nameethane;2-methylidene-1,3-benzodithiole
PubChem CID90758007
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Nameethane;2-methylidene-1,3-benzodithiole
SMILESC=C1Sc2ccccc2S1.CC
InChIInChI=1S/C8H6S2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2-5H,1H2;1-2H3
InChIKeyDLFSSJNOFGJEQK-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-1,3-benzodithiole?
The IUPAC name of ethane;2-methylidene-1,3-benzodithiole (CID 90758007) is ethane;2-methylidene-1,3-benzodithiole.
What is the SMILES notation for ethane;2-methylidene-1,3-benzodithiole?
The canonical SMILES for ethane;2-methylidene-1,3-benzodithiole is C=C1Sc2ccccc2S1.CC.
What is the InChIKey of ethane;2-methylidene-1,3-benzodithiole?
The InChIKey is DLFSSJNOFGJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2-5H,1H2;1-2H3.
What are the key properties of ethane;2-methylidene-1,3-benzodithiole?
ethane;2-methylidene-1,3-benzodithiole has a molecular weight of 196.34 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-1,3-benzodithiole is sourced from PubChem (CID 90758007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).