4-methyl-5-phenylsulfanylthiadiazole

C9H8N2S2 — CID 3841083

IUPAC4-methyl-5-phenylsulfanylthiadiazole
SMILESCc1nnsc1Sc1ccccc1
InChIInChI=1S/C9H8N2S2/c1-7-9(13-11-10-7)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBGRSUEVIZNLPGR-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-5-phenylsulfanylthiadiazole

4-methyl-5-phenylsulfanylthiadiazole (PubChem CID 3841083) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-5-phenylsulfanylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-phenylsulfanylthiadiazole
PubChem CID3841083
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name4-methyl-5-phenylsulfanylthiadiazole
SMILESCc1nnsc1Sc1ccccc1
InChIInChI=1S/C9H8N2S2/c1-7-9(13-11-10-7)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBGRSUEVIZNLPGR-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenylsulfanylthiadiazole?
The IUPAC name of 4-methyl-5-phenylsulfanylthiadiazole (CID 3841083) is 4-methyl-5-phenylsulfanylthiadiazole.
What is the SMILES notation for 4-methyl-5-phenylsulfanylthiadiazole?
The canonical SMILES for 4-methyl-5-phenylsulfanylthiadiazole is Cc1nnsc1Sc1ccccc1.
What is the InChIKey of 4-methyl-5-phenylsulfanylthiadiazole?
The InChIKey is BGRSUEVIZNLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-7-9(13-11-10-7)12-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-methyl-5-phenylsulfanylthiadiazole?
4-methyl-5-phenylsulfanylthiadiazole has a molecular weight of 208.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenylsulfanylthiadiazole is sourced from PubChem (CID 3841083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).