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

C7H16N2S2 — CID 145351223

IUPACethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCC.CC.Cc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2S2.2C2H6/c1-2-4-5-3(6)7-2;2*1-2/h1H3,(H,5,6);2*1-2H3
InChIKeySQUKUAAQMYZMHE-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.56
Rot. Bonds

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

ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 145351223) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Nameethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
PubChem CID145351223
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC Nameethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
SMILESCC.CC.Cc1n[nH]c(=S)s1
InChIInChI=1S/C3H4N2S2.2C2H6/c1-2-4-5-3(6)7-2;2*1-2/h1H3,(H,5,6);2*1-2H3
InChIKeySQUKUAAQMYZMHE-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione (CID 145351223) is ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione is CC.CC.Cc1n[nH]c(=S)s1.
What is the InChIKey of ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is SQUKUAAQMYZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2.2C2H6/c1-2-4-5-3(6)7-2;2*1-2/h1H3,(H,5,6);2*1-2H3.
What are the key properties of ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione?
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 192.35 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 145351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).