3-thiophen-3-ylsulfanylpropan-1-ol

C7H10OS2 — CID 119081823

IUPAC3-thiophen-3-ylsulfanylpropan-1-ol
SMILESOCCCSc1ccsc1
InChIInChI=1S/C7H10OS2/c8-3-1-4-10-7-2-5-9-6-7/h2,5-6,8H,1,3-4H2
InChIKeyPVOZGBHFFXDZPW-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.22
Rot. Bonds4

About 3-thiophen-3-ylsulfanylpropan-1-ol

3-thiophen-3-ylsulfanylpropan-1-ol (PubChem CID 119081823) has the molecular formula C7H10OS2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-thiophen-3-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-thiophen-3-ylsulfanylpropan-1-ol
PubChem CID119081823
Molecular FormulaC7H10OS2
Molecular Weight174.29 g/mol
Exact Mass174.02
IUPAC Name3-thiophen-3-ylsulfanylpropan-1-ol
SMILESOCCCSc1ccsc1
InChIInChI=1S/C7H10OS2/c8-3-1-4-10-7-2-5-9-6-7/h2,5-6,8H,1,3-4H2
InChIKeyPVOZGBHFFXDZPW-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylsulfanylpropan-1-ol?
The IUPAC name of 3-thiophen-3-ylsulfanylpropan-1-ol (CID 119081823) is 3-thiophen-3-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-thiophen-3-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-thiophen-3-ylsulfanylpropan-1-ol is OCCCSc1ccsc1.
What is the InChIKey of 3-thiophen-3-ylsulfanylpropan-1-ol?
The InChIKey is PVOZGBHFFXDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS2/c8-3-1-4-10-7-2-5-9-6-7/h2,5-6,8H,1,3-4H2.
What are the key properties of 3-thiophen-3-ylsulfanylpropan-1-ol?
3-thiophen-3-ylsulfanylpropan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylsulfanylpropan-1-ol is sourced from PubChem (CID 119081823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).