CID 87646890

CH3NOPbS — CID 87646890

IUPAC—
SMILESNC(=O)S.[Pb]
InChIInChI=1S/CH3NOS.Pb/c2-1(3)4;/h(H3,2,3,4);
InChIKeyDLPWAISVQJTHIO-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.39
Rot. Bonds

About CID 87646890

CID 87646890 (PubChem CID 87646890) has the molecular formula CH3NOPbS and a molecular weight of 284.31 g/mol.

Molecular Properties

Compound NameCID 87646890
PubChem CID87646890
Molecular FormulaCH3NOPbS
Molecular Weight284.31 g/mol
Exact Mass284.97
IUPAC Name—
SMILESNC(=O)S.[Pb]
InChIInChI=1S/CH3NOS.Pb/c2-1(3)4;/h(H3,2,3,4);
InChIKeyDLPWAISVQJTHIO-UHFFFAOYSA-N
XLogP-0.39
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87646890?
The IUPAC name of CID 87646890 (CID 87646890) is not available.
What is the SMILES notation for CID 87646890?
The canonical SMILES for CID 87646890 is NC(=O)S.[Pb].
What is the InChIKey of CID 87646890?
The InChIKey is DLPWAISVQJTHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.Pb/c2-1(3)4;/h(H3,2,3,4);.
What are the key properties of CID 87646890?
CID 87646890 has a molecular weight of 284.31 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87646890 is sourced from PubChem (CID 87646890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).