CID 157101395

C5H11NS2Se — CID 157101395

IUPAC—
SMILESCCN(CC)C(=S)S.[Se]
InChIInChI=1S/C5H11NS2.Se/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyAFUNIRHCANXNRU-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.16
Rot. Bonds2

About CID 157101395

CID 157101395 (PubChem CID 157101395) has the molecular formula C5H11NS2Se and a molecular weight of 228.24 g/mol.

Molecular Properties

Compound NameCID 157101395
PubChem CID157101395
Molecular FormulaC5H11NS2Se
Molecular Weight228.24 g/mol
Exact Mass228.95
IUPAC Name—
SMILESCCN(CC)C(=S)S.[Se]
InChIInChI=1S/C5H11NS2.Se/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyAFUNIRHCANXNRU-UHFFFAOYSA-N
XLogP1.16
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.16
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 157101395?
The IUPAC name of CID 157101395 (CID 157101395) is not available.
What is the SMILES notation for CID 157101395?
The canonical SMILES for CID 157101395 is CCN(CC)C(=S)S.[Se].
What is the InChIKey of CID 157101395?
The InChIKey is AFUNIRHCANXNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.Se/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);.
What are the key properties of CID 157101395?
CID 157101395 has a molecular weight of 228.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157101395 is sourced from PubChem (CID 157101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).