3-methylidene-2-propan-2-ylidenethiolane

C8H12S — CID 89206772

IUPAC3-methylidene-2-propan-2-ylidenethiolane
SMILESC=C1CCSC1=C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-7(3)4-5-9-8/h3-5H2,1-2H3
InChIKeyTYKJJAWASXJVRY-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.97
Rot. Bonds

About 3-methylidene-2-propan-2-ylidenethiolane

3-methylidene-2-propan-2-ylidenethiolane (PubChem CID 89206772) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-methylidene-2-propan-2-ylidenethiolane.

Molecular Properties

Compound Name3-methylidene-2-propan-2-ylidenethiolane
PubChem CID89206772
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3-methylidene-2-propan-2-ylidenethiolane
SMILESC=C1CCSC1=C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-7(3)4-5-9-8/h3-5H2,1-2H3
InChIKeyTYKJJAWASXJVRY-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-propan-2-ylidenethiolane?
The IUPAC name of 3-methylidene-2-propan-2-ylidenethiolane (CID 89206772) is 3-methylidene-2-propan-2-ylidenethiolane.
What is the SMILES notation for 3-methylidene-2-propan-2-ylidenethiolane?
The canonical SMILES for 3-methylidene-2-propan-2-ylidenethiolane is C=C1CCSC1=C(C)C.
What is the InChIKey of 3-methylidene-2-propan-2-ylidenethiolane?
The InChIKey is TYKJJAWASXJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6(2)8-7(3)4-5-9-8/h3-5H2,1-2H3.
What are the key properties of 3-methylidene-2-propan-2-ylidenethiolane?
3-methylidene-2-propan-2-ylidenethiolane has a molecular weight of 140.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propan-2-ylidenethiolane is sourced from PubChem (CID 89206772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).