CID 173241697

H2MoS4 — CID 173241697

IUPAC—
SMILESSSSS.[Mo]
InChIInChI=1S/Mo.H2S4/c;1-3-4-2/h;1-2H
InChIKeySJNKMFCRDOTRBZ-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.05
Rot. Bonds1

About CID 173241697

CID 173241697 (PubChem CID 173241697) has the molecular formula H2MoS4 and a molecular weight of 226.22 g/mol.

Molecular Properties

Compound NameCID 173241697
PubChem CID173241697
Molecular FormulaH2MoS4
Molecular Weight226.22 g/mol
Exact Mass227.81
IUPAC Name—
SMILESSSSS.[Mo]
InChIInChI=1S/Mo.H2S4/c;1-3-4-2/h;1-2H
InChIKeySJNKMFCRDOTRBZ-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173241697?
The IUPAC name of CID 173241697 (CID 173241697) is not available.
What is the SMILES notation for CID 173241697?
The canonical SMILES for CID 173241697 is SSSS.[Mo].
What is the InChIKey of CID 173241697?
The InChIKey is SJNKMFCRDOTRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Mo.H2S4/c;1-3-4-2/h;1-2H.
What are the key properties of CID 173241697?
CID 173241697 has a molecular weight of 226.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173241697 is sourced from PubChem (CID 173241697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).