methane;methanethione

C5H18S — CID 158279251

IUPACmethane;methanethione
SMILESC.C.C.C.C=S
InChIInChI=1S/CH2S.4CH4/c1-2;;;;/h1H2;4*1H4
InChIKeyGJZULEPOPLRKCB-UHFFFAOYSA-N
MW110.27 g/mol
LogP3.16
Rot. Bonds

About methane;methanethione

methane;methanethione (PubChem CID 158279251) has the molecular formula C5H18S and a molecular weight of 110.27 g/mol. Its IUPAC name is methane;methanethione.

Molecular Properties

Compound Namemethane;methanethione
PubChem CID158279251
Molecular FormulaC5H18S
Molecular Weight110.27 g/mol
Exact Mass110.11
IUPAC Namemethane;methanethione
SMILESC.C.C.C.C=S
InChIInChI=1S/CH2S.4CH4/c1-2;;;;/h1H2;4*1H4
InChIKeyGJZULEPOPLRKCB-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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methane
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Frequently Asked Questions

What is the IUPAC name of methane;methanethione?
The IUPAC name of methane;methanethione (CID 158279251) is methane;methanethione.
What is the SMILES notation for methane;methanethione?
The canonical SMILES for methane;methanethione is C.C.C.C.C=S.
What is the InChIKey of methane;methanethione?
The InChIKey is GJZULEPOPLRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S.4CH4/c1-2;;;;/h1H2;4*1H4.
What are the key properties of methane;methanethione?
methane;methanethione has a molecular weight of 110.27 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanethione is sourced from PubChem (CID 158279251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).