4-methylsulfanyl-5-phenylthiadiazole

C9H8N2S2 — CID 175492375

IUPAC4-methylsulfanyl-5-phenylthiadiazole
SMILESCSc1nnsc1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(13-11-10-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJRPBPBGTMKGCFL-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.93
Rot. Bonds2

About 4-methylsulfanyl-5-phenylthiadiazole

4-methylsulfanyl-5-phenylthiadiazole (PubChem CID 175492375) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methylsulfanyl-5-phenylthiadiazole.

Molecular Properties

Compound Name4-methylsulfanyl-5-phenylthiadiazole
PubChem CID175492375
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name4-methylsulfanyl-5-phenylthiadiazole
SMILESCSc1nnsc1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(13-11-10-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJRPBPBGTMKGCFL-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-phenylthiadiazole?
The IUPAC name of 4-methylsulfanyl-5-phenylthiadiazole (CID 175492375) is 4-methylsulfanyl-5-phenylthiadiazole.
What is the SMILES notation for 4-methylsulfanyl-5-phenylthiadiazole?
The canonical SMILES for 4-methylsulfanyl-5-phenylthiadiazole is CSc1nnsc1-c1ccccc1.
What is the InChIKey of 4-methylsulfanyl-5-phenylthiadiazole?
The InChIKey is JRPBPBGTMKGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-12-9-8(13-11-10-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4-methylsulfanyl-5-phenylthiadiazole?
4-methylsulfanyl-5-phenylthiadiazole has a molecular weight of 208.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-phenylthiadiazole is sourced from PubChem (CID 175492375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).