2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole

C10H10N2S3 — CID 86193876

IUPAC2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SSCc2ccccc2)s1
InChIInChI=1S/C10H10N2S3/c1-8-11-12-10(14-8)15-13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyOVMSPHWOIUWEGD-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.79
Rot. Bonds4

About 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole

2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 86193876) has the molecular formula C10H10N2S3 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole
PubChem CID86193876
Molecular FormulaC10H10N2S3
Molecular Weight254.41 g/mol
Exact Mass254.00
IUPAC Name2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SSCc2ccccc2)s1
InChIInChI=1S/C10H10N2S3/c1-8-11-12-10(14-8)15-13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyOVMSPHWOIUWEGD-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole (CID 86193876) is 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(SSCc2ccccc2)s1.
What is the InChIKey of 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is OVMSPHWOIUWEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S3/c1-8-11-12-10(14-8)15-13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole?
2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 254.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 86193876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).