3,3-dimethyl-2-methylidenethiane

C8H14S — CID 13360335

IUPAC3,3-dimethyl-2-methylidenethiane
SMILESC=C1SCCCC1(C)C
InChIInChI=1S/C8H14S/c1-7-8(2,3)5-4-6-9-7/h1,4-6H2,2-3H3
InChIKeyDAJSRISEQZPPNW-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds

About 3,3-dimethyl-2-methylidenethiane

3,3-dimethyl-2-methylidenethiane (PubChem CID 13360335) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidenethiane.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidenethiane
PubChem CID13360335
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3,3-dimethyl-2-methylidenethiane
SMILESC=C1SCCCC1(C)C
InChIInChI=1S/C8H14S/c1-7-8(2,3)5-4-6-9-7/h1,4-6H2,2-3H3
InChIKeyDAJSRISEQZPPNW-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidenethiane?
The IUPAC name of 3,3-dimethyl-2-methylidenethiane (CID 13360335) is 3,3-dimethyl-2-methylidenethiane.
What is the SMILES notation for 3,3-dimethyl-2-methylidenethiane?
The canonical SMILES for 3,3-dimethyl-2-methylidenethiane is C=C1SCCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidenethiane?
The InChIKey is DAJSRISEQZPPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-8(2,3)5-4-6-9-7/h1,4-6H2,2-3H3.
What are the key properties of 3,3-dimethyl-2-methylidenethiane?
3,3-dimethyl-2-methylidenethiane has a molecular weight of 142.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidenethiane is sourced from PubChem (CID 13360335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).