1,3-diphenylpropane-1,3-dithione

C15H12S2 — CID 23346868

IUPAC1,3-diphenylpropane-1,3-dithione
SMILESS=C(CC(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12S2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHXCGIBAJIATXKC-UHFFFAOYSA-N
MW256.40 g/mol
LogP4.21
Rot. Bonds4

About 1,3-diphenylpropane-1,3-dithione

1,3-diphenylpropane-1,3-dithione (PubChem CID 23346868) has the molecular formula C15H12S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1,3-diphenylpropane-1,3-dithione.

Molecular Properties

Compound Name1,3-diphenylpropane-1,3-dithione
PubChem CID23346868
Molecular FormulaC15H12S2
Molecular Weight256.40 g/mol
Exact Mass256.04
IUPAC Name1,3-diphenylpropane-1,3-dithione
SMILESS=C(CC(=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12S2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHXCGIBAJIATXKC-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-phenyl-3-sulfanylidenepropanamide
CID 121218710
1-phenylbut-3-ene-1-thione
CID 23072627
N-(2-hydroxyethyl)benzenecarbothioamide
CID 2731056
5-amino-1-phenylpentane-1-thione
CID 89222189
CID 67882804
CID 67882804
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
phenyl(sulfanylidene)methaneselenolate
CID 101182419
hydrazine;O-methyl benzenecarbothioate
CID 157129425
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
benzenecarbodithioic acid;methane
CID 174693239
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
benzenecarbodithioic acid;rhenium
CID 174694582

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropane-1,3-dithione?
The IUPAC name of 1,3-diphenylpropane-1,3-dithione (CID 23346868) is 1,3-diphenylpropane-1,3-dithione.
What is the SMILES notation for 1,3-diphenylpropane-1,3-dithione?
The canonical SMILES for 1,3-diphenylpropane-1,3-dithione is S=C(CC(=S)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropane-1,3-dithione?
The InChIKey is HXCGIBAJIATXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1,3-diphenylpropane-1,3-dithione?
1,3-diphenylpropane-1,3-dithione has a molecular weight of 256.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropane-1,3-dithione is sourced from PubChem (CID 23346868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).