methyl-(3-methylbutyl)-methylidene-lambda4-sulfane

C7H16S — CID 18711698

IUPACmethyl-(3-methylbutyl)-methylidene-lambda4-sulfane
SMILESC=S(C)CCC(C)C
InChIInChI=1S/C7H16S/c1-7(2)5-6-8(3)4/h7H,3,5-6H2,1-2,4H3
InChIKeyKBQSIYFZQNSLJT-UHFFFAOYSA-N
MW132.27 g/mol
LogP2.36
Rot. Bonds3

About methyl-(3-methylbutyl)-methylidene-lambda4-sulfane

methyl-(3-methylbutyl)-methylidene-lambda4-sulfane (PubChem CID 18711698) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is methyl-(3-methylbutyl)-methylidene-lambda4-sulfane.

Molecular Properties

Compound Namemethyl-(3-methylbutyl)-methylidene-lambda4-sulfane
PubChem CID18711698
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Namemethyl-(3-methylbutyl)-methylidene-lambda4-sulfane
SMILESC=S(C)CCC(C)C
InChIInChI=1S/C7H16S/c1-7(2)5-6-8(3)4/h7H,3,5-6H2,1-2,4H3
InChIKeyKBQSIYFZQNSLJT-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylbutyl)-methylidene-lambda4-sulfane?
The IUPAC name of methyl-(3-methylbutyl)-methylidene-lambda4-sulfane (CID 18711698) is methyl-(3-methylbutyl)-methylidene-lambda4-sulfane.
What is the SMILES notation for methyl-(3-methylbutyl)-methylidene-lambda4-sulfane?
The canonical SMILES for methyl-(3-methylbutyl)-methylidene-lambda4-sulfane is C=S(C)CCC(C)C.
What is the InChIKey of methyl-(3-methylbutyl)-methylidene-lambda4-sulfane?
The InChIKey is KBQSIYFZQNSLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S/c1-7(2)5-6-8(3)4/h7H,3,5-6H2,1-2,4H3.
What are the key properties of methyl-(3-methylbutyl)-methylidene-lambda4-sulfane?
methyl-(3-methylbutyl)-methylidene-lambda4-sulfane has a molecular weight of 132.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylbutyl)-methylidene-lambda4-sulfane is sourced from PubChem (CID 18711698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).