3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol

C8H14N2OS2 — CID 66115687

IUPAC3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCC(C)c1nsc(SCCCO)n1
InChIInChI=1S/C8H14N2OS2/c1-6(2)7-9-8(13-10-7)12-5-3-4-11/h6,11H,3-5H2,1-2H3
InChIKeyRBGUWJBERYHIHW-UHFFFAOYSA-N
MW218.35 g/mol
LogP2.14
Rot. Bonds5

About 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol

3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (PubChem CID 66115687) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
PubChem CID66115687
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCC(C)c1nsc(SCCCO)n1
InChIInChI=1S/C8H14N2OS2/c1-6(2)7-9-8(13-10-7)12-5-3-4-11/h6,11H,3-5H2,1-2H3
InChIKeyRBGUWJBERYHIHW-UHFFFAOYSA-N
XLogP2.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 80427253
2-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
CID 107305269
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]butan-1-ol
CID 107305270
1-Fluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-2-ol
CID 165601412
2-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272398
2-Methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272400
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropanoic acid
CID 65272452
3-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272561
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 65272669
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65273381
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274075
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
CID 65274076

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (CID 66115687) is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is CC(C)c1nsc(SCCCO)n1.
What is the InChIKey of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The InChIKey is RBGUWJBERYHIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-6(2)7-9-8(13-10-7)12-5-3-4-11/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol has a molecular weight of 218.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 66115687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).