1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol

C6H10N2OS2 — CID 60879554

IUPAC1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
SMILESCCC(O)CSc1nncs1
InChIInChI=1S/C6H10N2OS2/c1-2-5(9)3-10-6-8-7-4-11-6/h4-5,9H,2-3H2,1H3
InChIKeyVFJJGASDCJYCDQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.40
Rot. Bonds4

About 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol

1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol (PubChem CID 60879554) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
PubChem CID60879554
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol
SMILESCCC(O)CSc1nncs1
InChIInChI=1S/C6H10N2OS2/c1-2-5(9)3-10-6-8-7-4-11-6/h4-5,9H,2-3H2,1H3
InChIKeyVFJJGASDCJYCDQ-UHFFFAOYSA-N
XLogP1.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol (CID 60879554) is 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol is CCC(O)CSc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
The InChIKey is VFJJGASDCJYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-2-5(9)3-10-6-8-7-4-11-6/h4-5,9H,2-3H2,1H3.
What are the key properties of 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol?
1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol has a molecular weight of 190.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 60879554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).