2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole

C10H10N2OS3 — CID 11097613

IUPAC2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole
SMILESCS(=O)CSc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2OS3/c1-16(13)7-14-10-12-11-9(15-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyYIICJVZPPRPMSH-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.63
Rot. Bonds4

About 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole

2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 11097613) has the molecular formula C10H10N2OS3 and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID11097613
Molecular FormulaC10H10N2OS3
Molecular Weight270.40 g/mol
Exact Mass270.00
IUPAC Name2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole
SMILESCS(=O)CSc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2OS3/c1-16(13)7-14-10-12-11-9(15-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyYIICJVZPPRPMSH-UHFFFAOYSA-N
XLogP2.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole (CID 11097613) is 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole is CS(=O)CSc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is YIICJVZPPRPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS3/c1-16(13)7-14-10-12-11-9(15-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole?
2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 270.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethylsulfanyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 11097613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).