ethane;1,3,4-thiadiazole

C6H14N2S — CID 91189435

IUPACethane;1,3,4-thiadiazole
SMILESCC.CC.c1nncs1
InChIInChI=1S/C2H2N2S.2C2H6/c1-3-4-2-5-1;2*1-2/h1-2H;2*1-2H3
InChIKeyBPOPPKFSJSIBSL-UHFFFAOYSA-N
MW146.26 g/mol
LogP2.59
Rot. Bonds

About ethane;1,3,4-thiadiazole

ethane;1,3,4-thiadiazole (PubChem CID 91189435) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is ethane;1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;1,3,4-thiadiazole
PubChem CID91189435
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Nameethane;1,3,4-thiadiazole
SMILESCC.CC.c1nncs1
InChIInChI=1S/C2H2N2S.2C2H6/c1-3-4-2-5-1;2*1-2/h1-2H;2*1-2H3
InChIKeyBPOPPKFSJSIBSL-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-thiadiazole?
The IUPAC name of ethane;1,3,4-thiadiazole (CID 91189435) is ethane;1,3,4-thiadiazole.
What is the SMILES notation for ethane;1,3,4-thiadiazole?
The canonical SMILES for ethane;1,3,4-thiadiazole is CC.CC.c1nncs1.
What is the InChIKey of ethane;1,3,4-thiadiazole?
The InChIKey is BPOPPKFSJSIBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.2C2H6/c1-3-4-2-5-1;2*1-2/h1-2H;2*1-2H3.
What are the key properties of ethane;1,3,4-thiadiazole?
ethane;1,3,4-thiadiazole has a molecular weight of 146.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-thiadiazole is sourced from PubChem (CID 91189435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).