ethane;3-methyl-1,2,4-thiadiazole

C5H10N2S — CID 91590176

IUPACethane;3-methyl-1,2,4-thiadiazole
SMILESCC.Cc1ncsn1
InChIInChI=1S/C3H4N2S.C2H6/c1-3-4-2-6-5-3;1-2/h2H,1H3;1-2H3
InChIKeyNRDPXUHZTOSLRB-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.87
Rot. Bonds

About ethane;3-methyl-1,2,4-thiadiazole

ethane;3-methyl-1,2,4-thiadiazole (PubChem CID 91590176) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-thiadiazole
PubChem CID91590176
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Nameethane;3-methyl-1,2,4-thiadiazole
SMILESCC.Cc1ncsn1
InChIInChI=1S/C3H4N2S.C2H6/c1-3-4-2-6-5-3;1-2/h2H,1H3;1-2H3
InChIKeyNRDPXUHZTOSLRB-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-thiadiazole?
The IUPAC name of ethane;3-methyl-1,2,4-thiadiazole (CID 91590176) is ethane;3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for ethane;3-methyl-1,2,4-thiadiazole?
The canonical SMILES for ethane;3-methyl-1,2,4-thiadiazole is CC.Cc1ncsn1.
What is the InChIKey of ethane;3-methyl-1,2,4-thiadiazole?
The InChIKey is NRDPXUHZTOSLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.C2H6/c1-3-4-2-6-5-3;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,2,4-thiadiazole?
ethane;3-methyl-1,2,4-thiadiazole has a molecular weight of 130.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 91590176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).