methylsulfanylmethane

C2H5S+ — CID 6329044

IUPACmethylsulfanylmethane
SMILES[CH2+]SC
InChIInChI=1S/C2H5S/c1-3-2/h1H2,2H3/q+1
InChIKeySQBVIDGOXLHIMB-UHFFFAOYSA-N
MW61.13 g/mol
LogP1.14
Rot. Bonds

About methylsulfanylmethane

methylsulfanylmethane (PubChem CID 6329044) has the molecular formula C2H5S+ and a molecular weight of 61.13 g/mol. Its IUPAC name is methylsulfanylmethane.

Molecular Properties

Compound Namemethylsulfanylmethane
PubChem CID6329044
Molecular FormulaC2H5S+
Molecular Weight61.13 g/mol
Exact Mass61.01
IUPAC Namemethylsulfanylmethane
SMILES[CH2+]SC
InChIInChI=1S/C2H5S/c1-3-2/h1H2,2H3/q+1
InChIKeySQBVIDGOXLHIMB-UHFFFAOYSA-N
XLogP1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane?
The IUPAC name of methylsulfanylmethane (CID 6329044) is methylsulfanylmethane.
What is the SMILES notation for methylsulfanylmethane?
The canonical SMILES for methylsulfanylmethane is [CH2+]SC.
What is the InChIKey of methylsulfanylmethane?
The InChIKey is SQBVIDGOXLHIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5S/c1-3-2/h1H2,2H3/q+1.
What are the key properties of methylsulfanylmethane?
methylsulfanylmethane has a molecular weight of 61.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane is sourced from PubChem (CID 6329044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).