4-phenyl-1,2,4-dithiazolidine

C8H9NS2 — CID 101427405

IUPAC4-phenyl-1,2,4-dithiazolidine
SMILESc1ccc(N2CSSC2)cc1
InChIInChI=1S/C8H9NS2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5H,6-7H2
InChIKeyVQEZYFBJCVDUSO-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.80
Rot. Bonds1

About 4-phenyl-1,2,4-dithiazolidine

4-phenyl-1,2,4-dithiazolidine (PubChem CID 101427405) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-phenyl-1,2,4-dithiazolidine.

Molecular Properties

Compound Name4-phenyl-1,2,4-dithiazolidine
PubChem CID101427405
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name4-phenyl-1,2,4-dithiazolidine
SMILESc1ccc(N2CSSC2)cc1
InChIInChI=1S/C8H9NS2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5H,6-7H2
InChIKeyVQEZYFBJCVDUSO-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
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1-fluoro-4-phenylpiperazine
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3-phenyl-2,4-dihydro-1,3-benzothiazine
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13-phenyl-1,5,9-trithia-13-azacyclohexadecane
CID 44623274
3,6-diphenyl-2,4-dihydro-1,3-thiazine
CID 175817384
5-phenyl-1,3,5-dioxazinane
CID 57157399
2,2,6,6-tetradeuterio-1-phenylpiperidine
CID 172759317
3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane
CID 12605483
4-methylidene-1-phenylpiperidine
CID 58902724
1-methanidyl-4-phenylpiperazin-1-ium
CID 20723217
ethane;methanol;1-phenylpiperidine
CID 177175072

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,4-dithiazolidine?
The IUPAC name of 4-phenyl-1,2,4-dithiazolidine (CID 101427405) is 4-phenyl-1,2,4-dithiazolidine.
What is the SMILES notation for 4-phenyl-1,2,4-dithiazolidine?
The canonical SMILES for 4-phenyl-1,2,4-dithiazolidine is c1ccc(N2CSSC2)cc1.
What is the InChIKey of 4-phenyl-1,2,4-dithiazolidine?
The InChIKey is VQEZYFBJCVDUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5H,6-7H2.
What are the key properties of 4-phenyl-1,2,4-dithiazolidine?
4-phenyl-1,2,4-dithiazolidine has a molecular weight of 183.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,4-dithiazolidine is sourced from PubChem (CID 101427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).