dimethyl(dimethylidene)-λ6-sulfane

C4H10S — CID 54486664

IUPACdimethyl(dimethylidene)-λ6-sulfane
SMILESC=S(=C)(C)C
InChIInChI=1S/C4H10S/c1-5(2,3)4/h1-2H2,3-4H3
InChIKeyXSUJHHNNADWQRL-UHFFFAOYSA-N
MW90.19 g/mol
LogP0.91
Rot. Bonds

About dimethyl(dimethylidene)-λ6-sulfane

dimethyl(dimethylidene)-λ6-sulfane (PubChem CID 54486664) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is dimethyl(dimethylidene)-λ6-sulfane.

Molecular Properties

Compound Namedimethyl(dimethylidene)-λ6-sulfane
PubChem CID54486664
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Namedimethyl(dimethylidene)-λ6-sulfane
SMILESC=S(=C)(C)C
InChIInChI=1S/C4H10S/c1-5(2,3)4/h1-2H2,3-4H3
InChIKeyXSUJHHNNADWQRL-UHFFFAOYSA-N
XLogP0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 50.91
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 dimethyl(dimethylidene)-λ6-sulfane?
The IUPAC name of dimethyl(dimethylidene)-λ6-sulfane (CID 54486664) is dimethyl(dimethylidene)-λ6-sulfane.
What is the SMILES notation for dimethyl(dimethylidene)-λ6-sulfane?
The canonical SMILES for dimethyl(dimethylidene)-λ6-sulfane is C=S(=C)(C)C.
What is the InChIKey of dimethyl(dimethylidene)-λ6-sulfane?
The InChIKey is XSUJHHNNADWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-5(2,3)4/h1-2H2,3-4H3.
What are the key properties of dimethyl(dimethylidene)-λ6-sulfane?
dimethyl(dimethylidene)-λ6-sulfane has a molecular weight of 90.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(dimethylidene)-λ6-sulfane is sourced from PubChem (CID 54486664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).