methanethiol;molecular hydrogen

CH6S — CID 174491388

IUPACmethanethiol;molecular hydrogen
SMILESCS.[H][H]
InChIInChI=1S/CH4S.H2/c1-2;/h2H,1H3;1H
InChIKeyRGAUQJVCOIXWBL-UHFFFAOYSA-N
MW50.13 g/mol
LogP0.79
Rot. Bonds

About methanethiol;molecular hydrogen

methanethiol;molecular hydrogen (PubChem CID 174491388) has the molecular formula CH6S and a molecular weight of 50.13 g/mol. Its IUPAC name is methanethiol;molecular hydrogen.

Molecular Properties

Compound Namemethanethiol;molecular hydrogen
PubChem CID174491388
Molecular FormulaCH6S
Molecular Weight50.13 g/mol
Exact Mass50.02
IUPAC Namemethanethiol;molecular hydrogen
SMILESCS.[H][H]
InChIInChI=1S/CH4S.H2/c1-2;/h2H,1H3;1H
InChIKeyRGAUQJVCOIXWBL-UHFFFAOYSA-N
XLogP0.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50050.13
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanethiol;molecular hydrogen?
The IUPAC name of methanethiol;molecular hydrogen (CID 174491388) is methanethiol;molecular hydrogen.
What is the SMILES notation for methanethiol;molecular hydrogen?
The canonical SMILES for methanethiol;molecular hydrogen is CS.[H][H].
What is the InChIKey of methanethiol;molecular hydrogen?
The InChIKey is RGAUQJVCOIXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4S.H2/c1-2;/h2H,1H3;1H.
What are the key properties of methanethiol;molecular hydrogen?
methanethiol;molecular hydrogen has a molecular weight of 50.13 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;molecular hydrogen is sourced from PubChem (CID 174491388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).