5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione

C6H8N4OS3 — CID 142209790

IUPAC5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1n[nH]c(=S)o1.Cc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2OS.C3H4N2S2/c1-2-4-5-3(7)6-2;1-2-4-5-3(6)7-2/h1H3,(H,5,7);1H3,(H,5,6)
InChIKeyJLYNSSJYZITGFQ-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.55
Rot. Bonds

About 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione

5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 142209790) has the molecular formula C6H8N4OS3 and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
PubChem CID142209790
Molecular FormulaC6H8N4OS3
Molecular Weight248.36 g/mol
Exact Mass247.99
IUPAC Name5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCc1n[nH]c(=S)o1.Cc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2OS.C3H4N2S2/c1-2-4-5-3(7)6-2;1-2-4-5-3(6)7-2/h1H3,(H,5,7);1H3,(H,5,6)
InChIKeyJLYNSSJYZITGFQ-UHFFFAOYSA-N
XLogP2.55
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

silver 5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 18620396
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 145351223
5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 158096921
5-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 19811943
5-(1-aminoethyl)-3H-1,3,4-thiadiazole-2-thione
CID 20524616
5-hydrazinyl-3H-1,3,4-oxadiazole-2-thione
CID 116996095
ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 170572399
5-(2,2-dimethylcyclopropyl)-3H-1,3,4-oxadiazole-2-thione
CID 107002027
formyl acetate;5-methyl-2-sulfanylidene-1,3,4-thiadiazole-3-carbaldehyde;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 162147195
5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007251
5-(2,4,5-trimethylfuran-3-yl)-3H-1,3,4-oxadiazole-2-thione
CID 65152956
5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427369

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione (CID 142209790) is 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione is Cc1n[nH]c(=S)o1.Cc1n[nH]c(=S)s1.
What is the InChIKey of 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is JLYNSSJYZITGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2OS.C3H4N2S2/c1-2-4-5-3(7)6-2;1-2-4-5-3(6)7-2/h1H3,(H,5,7);1H3,(H,5,6).
What are the key properties of 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione?
5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 248.36 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 142209790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).