2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol

C6H10N2OS2 — CID 131227512

IUPAC2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)SCc1cnsn1
InChIInChI=1S/C6H10N2OS2/c1-5(3-9)10-4-6-2-7-11-8-6/h2,5,9H,3-4H2,1H3
InChIKeyXIGVDBKJQWICGY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.15
Rot. Bonds4

About 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol

2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol (PubChem CID 131227512) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol
PubChem CID131227512
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol
SMILESCC(CO)SCc1cnsn1
InChIInChI=1S/C6H10N2OS2/c1-5(3-9)10-4-6-2-7-11-8-6/h2,5,9H,3-4H2,1H3
InChIKeyXIGVDBKJQWICGY-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol (CID 131227512) is 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol is CC(CO)SCc1cnsn1.
What is the InChIKey of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol?
The InChIKey is XIGVDBKJQWICGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5(3-9)10-4-6-2-7-11-8-6/h2,5,9H,3-4H2,1H3.
What are the key properties of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol?
2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 131227512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).