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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Related Compounds

silver 5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 18620396
5-amino-3H-1,3,4-thiadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 158096921
5-methyl-3H-1,3,4-oxadiazole-2-thione;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 142209790
ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 170572399
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-(1-aminoethyl)-3H-1,3,4-thiadiazole-2-thione
CID 20524616
bis(5-amino-3H-1,3,4-thiadiazole-2-thione);manganese;zinc
CID 175338258
N,N-dimethyl-7-oxo-7-(4-phenylphenyl)heptanamide;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 91292210
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2735523
5-pentan-3-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 18711572
5-(methoxymethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
CID 166046358

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).