CID 54601321

C3H7NS2Se — CID 54601321

IUPAC—
SMILESCN(C)C(=S)S.[Se]
InChIInChI=1S/C3H7NS2.Se/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyUVUQKJCNSMFIFE-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.38
Rot. Bonds

About CID 54601321

CID 54601321 (PubChem CID 54601321) has the molecular formula C3H7NS2Se and a molecular weight of 200.19 g/mol.

Molecular Properties

Compound NameCID 54601321
PubChem CID54601321
Molecular FormulaC3H7NS2Se
Molecular Weight200.19 g/mol
Exact Mass200.92
IUPAC Name—
SMILESCN(C)C(=S)S.[Se]
InChIInChI=1S/C3H7NS2.Se/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyUVUQKJCNSMFIFE-UHFFFAOYSA-N
XLogP0.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54601321?
The IUPAC name of CID 54601321 (CID 54601321) is not available.
What is the SMILES notation for CID 54601321?
The canonical SMILES for CID 54601321 is CN(C)C(=S)S.[Se].
What is the InChIKey of CID 54601321?
The InChIKey is UVUQKJCNSMFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Se/c1-4(2)3(5)6;/h1-2H3,(H,5,6);.
What are the key properties of CID 54601321?
CID 54601321 has a molecular weight of 200.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54601321 is sourced from PubChem (CID 54601321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).