2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole

C9H7FN2S3 — CID 71681381

IUPAC2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SSc2ccccc2F)s1
InChIInChI=1S/C9H7FN2S3/c1-6-11-12-9(13-6)15-14-8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeyNOZMDTGGFNUULW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.79
Rot. Bonds3

About 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 71681381) has the molecular formula C9H7FN2S3 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID71681381
Molecular FormulaC9H7FN2S3
Molecular Weight258.37 g/mol
Exact Mass257.98
IUPAC Name2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SSc2ccccc2F)s1
InChIInChI=1S/C9H7FN2S3/c1-6-11-12-9(13-6)15-14-8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeyNOZMDTGGFNUULW-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
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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Related Compounds

2-(Benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 141336300
2-Methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3,4-thiadiazole
CID 79325985
2-Chloro-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607063
2-Chloro-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607380
2-Chloro-5-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607381
2-Chloro-5-[(2,4-difluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607484
2-Chloro-5-[(3-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607594
2-Chloro-5-[(2,5-difluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607693
2-Methyl-5-phenylsulfanyl-1,3,4-thiadiazole
CID 101799786
Methane;2-methyl-5-propylsulfanyl-1,3,4-thiadiazole;propylsulfanylbenzene
CID 159886184
2-Methyl-5-(phenyldisulfanyl)-1,3,4-thiadiazole
CID 71681233
2-Iodo-5-(phenylsulfanylmethyl)-1,3,4-thiadiazole
CID 79205331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole (CID 71681381) is 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(SSc2ccccc2F)s1.
What is the InChIKey of 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is NOZMDTGGFNUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S3/c1-6-11-12-9(13-6)15-14-8-5-3-2-4-7(8)10/h2-5H,1H3.
What are the key properties of 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 258.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 71681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).