chromium;methanethiol

CH4CrS — CID 88625837

IUPACchromium;methanethiol
SMILESCS.[Cr]
InChIInChI=1S/CH4S.Cr/c1-2;/h2H,1H3;
InChIKeyIIIFQFXJSZSPFS-UHFFFAOYSA-N
MW100.11 g/mol
LogP0.54
Rot. Bonds

About chromium;methanethiol

chromium;methanethiol (PubChem CID 88625837) has the molecular formula CH4CrS and a molecular weight of 100.11 g/mol. Its IUPAC name is chromium;methanethiol.

Molecular Properties

Compound Namechromium;methanethiol
PubChem CID88625837
Molecular FormulaCH4CrS
Molecular Weight100.11 g/mol
Exact Mass99.94
IUPAC Namechromium;methanethiol
SMILESCS.[Cr]
InChIInChI=1S/CH4S.Cr/c1-2;/h2H,1H3;
InChIKeyIIIFQFXJSZSPFS-UHFFFAOYSA-N
XLogP0.54
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.11
LogP ≤ 50.54
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 chromium;methanethiol?
The IUPAC name of chromium;methanethiol (CID 88625837) is chromium;methanethiol.
What is the SMILES notation for chromium;methanethiol?
The canonical SMILES for chromium;methanethiol is CS.[Cr].
What is the InChIKey of chromium;methanethiol?
The InChIKey is IIIFQFXJSZSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4S.Cr/c1-2;/h2H,1H3;.
What are the key properties of chromium;methanethiol?
chromium;methanethiol has a molecular weight of 100.11 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;methanethiol is sourced from PubChem (CID 88625837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).