methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane

C10H20S — CID 102399929

IUPACmethylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane
SMILESC=S=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H20S/c1-9(2,3)8(11-7)10(4,5)6/h7H2,1-6H3
InChIKeyLAWZPFKTIUCJGS-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.42
Rot. Bonds

About methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane

methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane (PubChem CID 102399929) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane.

Molecular Properties

Compound Namemethylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane
PubChem CID102399929
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namemethylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane
SMILESC=S=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H20S/c1-9(2,3)8(11-7)10(4,5)6/h7H2,1-6H3
InChIKeyLAWZPFKTIUCJGS-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.42
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(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane?
The IUPAC name of methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane (CID 102399929) is methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane.
What is the SMILES notation for methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane?
The canonical SMILES for methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane is C=S=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane?
The InChIKey is LAWZPFKTIUCJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-9(2,3)8(11-7)10(4,5)6/h7H2,1-6H3.
What are the key properties of methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane?
methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane has a molecular weight of 172.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(2,2,4,4-tetramethylpentan-3-ylidene)-λ4-sulfane is sourced from PubChem (CID 102399929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).