4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate

C14H13N2S2- — CID 23542982

IUPAC4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate
SMILES[S-]C1NN(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C14H14N2S2/c17-14-15-16(12-9-5-2-6-10-12)13(18-14)11-7-3-1-4-8-11/h1-10,13-15,17H/p-1
InChIKeyTYXBSXLBBPINFN-UHFFFAOYSA-M
MW273.41 g/mol
LogP3.27
Rot. Bonds2

About 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate

4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate (PubChem CID 23542982) has the molecular formula C14H13N2S2- and a molecular weight of 273.41 g/mol. Its IUPAC name is 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate.

Molecular Properties

Compound Name4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate
PubChem CID23542982
Molecular FormulaC14H13N2S2-
Molecular Weight273.41 g/mol
Exact Mass273.05
IUPAC Name4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate
SMILES[S-]C1NN(c2ccccc2)C(c2ccccc2)S1
InChIInChI=1S/C14H14N2S2/c17-14-15-16(12-9-5-2-6-10-12)13(18-14)11-7-3-1-4-8-11/h1-10,13-15,17H/p-1
InChIKeyTYXBSXLBBPINFN-UHFFFAOYSA-M
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-1,3,5-triphenylpyrazolidine
CID 51417824
1,3,5-triphenylpyrazolidine
CID 5216868
3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
CID 71372658
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
1,2-diphenylimidazolidine
CID 22475925
3-methyl-2-phenyl-2H-1,3,4-thiadiazole-5-thiolate
CID 20734793
ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate
CID 117065587
5-chloro-3-methyl-2-phenyl-1,3-thiazolidine
CID 174266525
2-[(5R)-3,5-diphenyltetrazolidin-2-yl]-4,5-dimethyl-1,3-thiazole
CID 95401019
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazolidine
CID 71436327

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate?
The IUPAC name of 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate (CID 23542982) is 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate.
What is the SMILES notation for 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate?
The canonical SMILES for 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate is [S-]C1NN(c2ccccc2)C(c2ccccc2)S1.
What is the InChIKey of 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate?
The InChIKey is TYXBSXLBBPINFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2S2/c17-14-15-16(12-9-5-2-6-10-12)13(18-14)11-7-3-1-4-8-11/h1-10,13-15,17H/p-1.
What are the key properties of 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate?
4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate has a molecular weight of 273.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3,4-thiadiazolidine-2-thiolate is sourced from PubChem (CID 23542982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).