2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole

C6H10N2S2 — CID 21163831

IUPAC2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)CSc1nncs1
InChIInChI=1S/C6H10N2S2/c1-5(2)3-9-6-8-7-4-10-6/h4-5H,3H2,1-2H3
InChIKeyWCTVRCBTQKSFSO-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.29
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole

2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole (PubChem CID 21163831) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
PubChem CID21163831
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)CSc1nncs1
InChIInChI=1S/C6H10N2S2/c1-5(2)3-9-6-8-7-4-10-6/h4-5H,3H2,1-2H3
InChIKeyWCTVRCBTQKSFSO-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole (CID 21163831) is 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole is CC(C)CSc1nncs1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is WCTVRCBTQKSFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-5(2)3-9-6-8-7-4-10-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 174.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 21163831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).