2-propan-2-ylidene-1,3-benzodithiole

C10H10S2 — CID 10058477

IUPAC2-propan-2-ylidene-1,3-benzodithiole
SMILESCC(C)=C1Sc2ccccc2S1
InChIInChI=1S/C10H10S2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6H,1-2H3
InChIKeyJIHQIPNJFFBMQH-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.14
Rot. Bonds

About 2-propan-2-ylidene-1,3-benzodithiole

2-propan-2-ylidene-1,3-benzodithiole (PubChem CID 10058477) has the molecular formula C10H10S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-propan-2-ylidene-1,3-benzodithiole.

Molecular Properties

Compound Name2-propan-2-ylidene-1,3-benzodithiole
PubChem CID10058477
Molecular FormulaC10H10S2
Molecular Weight194.32 g/mol
Exact Mass194.02
IUPAC Name2-propan-2-ylidene-1,3-benzodithiole
SMILESCC(C)=C1Sc2ccccc2S1
InChIInChI=1S/C10H10S2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6H,1-2H3
InChIKeyJIHQIPNJFFBMQH-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-1,3-benzodithiole?
The IUPAC name of 2-propan-2-ylidene-1,3-benzodithiole (CID 10058477) is 2-propan-2-ylidene-1,3-benzodithiole.
What is the SMILES notation for 2-propan-2-ylidene-1,3-benzodithiole?
The canonical SMILES for 2-propan-2-ylidene-1,3-benzodithiole is CC(C)=C1Sc2ccccc2S1.
What is the InChIKey of 2-propan-2-ylidene-1,3-benzodithiole?
The InChIKey is JIHQIPNJFFBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylidene-1,3-benzodithiole?
2-propan-2-ylidene-1,3-benzodithiole has a molecular weight of 194.32 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-1,3-benzodithiole is sourced from PubChem (CID 10058477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).