methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane

C10H16S — CID 134878019

IUPACmethylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane
SMILESC=S=C1C=C(C)CC(C)(C)C1
InChIInChI=1S/C10H16S/c1-8-5-9(11-4)7-10(2,3)6-8/h5H,4,6-7H2,1-3H3
InChIKeyZSPVZDOPDXTELO-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.09
Rot. Bonds

About methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane

methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane (PubChem CID 134878019) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane.

Molecular Properties

Compound Namemethylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane
PubChem CID134878019
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Namemethylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane
SMILESC=S=C1C=C(C)CC(C)(C)C1
InChIInChI=1S/C10H16S/c1-8-5-9(11-4)7-10(2,3)6-8/h5H,4,6-7H2,1-3H3
InChIKeyZSPVZDOPDXTELO-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane?
The IUPAC name of methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane (CID 134878019) is methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane.
What is the SMILES notation for methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane?
The canonical SMILES for methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane is C=S=C1C=C(C)CC(C)(C)C1.
What is the InChIKey of methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane?
The InChIKey is ZSPVZDOPDXTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-8-5-9(11-4)7-10(2,3)6-8/h5H,4,6-7H2,1-3H3.
What are the key properties of methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane?
methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane has a molecular weight of 168.30 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-λ4-sulfane is sourced from PubChem (CID 134878019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).