phenyl(sulfanylidene)methaneselenolate

C7H5SSe- — CID 101182419

IUPACphenyl(sulfanylidene)methaneselenolate
SMILESS=C([Se-])c1ccccc1
InChIInChI=1S/C7H6SSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKeyJDBPVIJLMYGWQT-UHFFFAOYSA-M
MW200.14 g/mol
LogP1.53
Rot. Bonds1

About phenyl(sulfanylidene)methaneselenolate

phenyl(sulfanylidene)methaneselenolate (PubChem CID 101182419) has the molecular formula C7H5SSe- and a molecular weight of 200.14 g/mol. Its IUPAC name is phenyl(sulfanylidene)methaneselenolate.

Molecular Properties

Compound Namephenyl(sulfanylidene)methaneselenolate
PubChem CID101182419
Molecular FormulaC7H5SSe-
Molecular Weight200.14 g/mol
Exact Mass200.93
IUPAC Namephenyl(sulfanylidene)methaneselenolate
SMILESS=C([Se-])c1ccccc1
InChIInChI=1S/C7H6SSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKeyJDBPVIJLMYGWQT-UHFFFAOYSA-M
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenyl(sulfanylidene)methaneselenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenecarbodithioic acid;methane
CID 174693239
benzenecarbodithioic acid;rhenium
CID 174694582
1,3-diphenylpropane-1,3-dithione
CID 23346868
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
sodium;benzenecarbodithioate;hydrate
CID 141096232
O-sulfanyl benzenecarbothioate
CID 141463244
O-[bis(benzenecarbonothioyloxy)gallanyl] benzenecarbothioate
CID 139645679
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
hydrazine;O-methyl benzenecarbothioate
CID 157129425

Frequently Asked Questions

What is the IUPAC name of phenyl(sulfanylidene)methaneselenolate?
The IUPAC name of phenyl(sulfanylidene)methaneselenolate (CID 101182419) is phenyl(sulfanylidene)methaneselenolate.
What is the SMILES notation for phenyl(sulfanylidene)methaneselenolate?
The canonical SMILES for phenyl(sulfanylidene)methaneselenolate is S=C([Se-])c1ccccc1.
What is the InChIKey of phenyl(sulfanylidene)methaneselenolate?
The InChIKey is JDBPVIJLMYGWQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6SSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1.
What are the key properties of phenyl(sulfanylidene)methaneselenolate?
phenyl(sulfanylidene)methaneselenolate has a molecular weight of 200.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(sulfanylidene)methaneselenolate is sourced from PubChem (CID 101182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).