bis(benzylselanyl)methanethione

C15H14SSe2 — CID 13468467

IUPACbis(benzylselanyl)methanethione
SMILESS=C([Se]Cc1ccccc1)[Se]Cc1ccccc1
InChIInChI=1S/C15H14SSe2/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVHCGLRFHJSNSNA-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.08
Rot. Bonds6

About bis(benzylselanyl)methanethione

bis(benzylselanyl)methanethione (PubChem CID 13468467) has the molecular formula C15H14SSe2 and a molecular weight of 384.26 g/mol. Its IUPAC name is bis(benzylselanyl)methanethione.

Molecular Properties

Compound Namebis(benzylselanyl)methanethione
PubChem CID13468467
Molecular FormulaC15H14SSe2
Molecular Weight384.26 g/mol
Exact Mass385.91
IUPAC Namebis(benzylselanyl)methanethione
SMILESS=C([Se]Cc1ccccc1)[Se]Cc1ccccc1
InChIInChI=1S/C15H14SSe2/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVHCGLRFHJSNSNA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.08
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'}

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Related Compounds

benzyl selenohypobromite
CID 3301548
2-benzylselanylethanol
CID 3800027
1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
benzylselanyl-dihydroxy-selanylidene-λ5-phosphane
CID 173221458
1-phenylpropane-2-thione
CID 19915653
1-(2-methylpropylselanyl)-2-phenylethanethione
CID 134872162
2-bromo-3-phenylpropanethioamide
CID 142775087
O-(4-methoxyphenyl) benzylselanylmethaneselenoate
CID 102600172
[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene
CID 23625558
ethane;2-phenylethanedithioic acid
CID 144720057
potassium 2-benzylselanylacetate
CID 23697851
3-benzylpentane-2-thione
CID 134507494

Frequently Asked Questions

What is the IUPAC name of bis(benzylselanyl)methanethione?
The IUPAC name of bis(benzylselanyl)methanethione (CID 13468467) is bis(benzylselanyl)methanethione.
What is the SMILES notation for bis(benzylselanyl)methanethione?
The canonical SMILES for bis(benzylselanyl)methanethione is S=C([Se]Cc1ccccc1)[Se]Cc1ccccc1.
What is the InChIKey of bis(benzylselanyl)methanethione?
The InChIKey is VHCGLRFHJSNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14SSe2/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of bis(benzylselanyl)methanethione?
bis(benzylselanyl)methanethione has a molecular weight of 384.26 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzylselanyl)methanethione is sourced from PubChem (CID 13468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).