ethane;methyl-methylidene-phenyl-λ4-sulfane

C10H16S — CID 91087934

IUPACethane;methyl-methylidene-phenyl-λ4-sulfane
SMILESC=S(C)c1ccccc1.CC
InChIInChI=1S/C8H10S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-2/h3-7H,1H2,2H3;1-2H3
InChIKeyLSDOHSMHYBFDGP-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.40
Rot. Bonds1

About ethane;methyl-methylidene-phenyl-λ4-sulfane

ethane;methyl-methylidene-phenyl-λ4-sulfane (PubChem CID 91087934) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is ethane;methyl-methylidene-phenyl-λ4-sulfane.

Molecular Properties

Compound Nameethane;methyl-methylidene-phenyl-λ4-sulfane
PubChem CID91087934
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Nameethane;methyl-methylidene-phenyl-λ4-sulfane
SMILESC=S(C)c1ccccc1.CC
InChIInChI=1S/C8H10S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-2/h3-7H,1H2,2H3;1-2H3
InChIKeyLSDOHSMHYBFDGP-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]propan-1-one;ethane
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CID 159805794
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CID 159636739

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-methylidene-phenyl-λ4-sulfane?
The IUPAC name of ethane;methyl-methylidene-phenyl-λ4-sulfane (CID 91087934) is ethane;methyl-methylidene-phenyl-λ4-sulfane.
What is the SMILES notation for ethane;methyl-methylidene-phenyl-λ4-sulfane?
The canonical SMILES for ethane;methyl-methylidene-phenyl-λ4-sulfane is C=S(C)c1ccccc1.CC.
What is the InChIKey of ethane;methyl-methylidene-phenyl-λ4-sulfane?
The InChIKey is LSDOHSMHYBFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-2/h3-7H,1H2,2H3;1-2H3.
What are the key properties of ethane;methyl-methylidene-phenyl-λ4-sulfane?
ethane;methyl-methylidene-phenyl-λ4-sulfane has a molecular weight of 168.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-methylidene-phenyl-λ4-sulfane is sourced from PubChem (CID 91087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).