1-thiophen-2-ylsulfanylpropan-2-ol

C7H10OS2 — CID 60878038

IUPAC1-thiophen-2-ylsulfanylpropan-2-ol
SMILESCC(O)CSc1cccs1
InChIInChI=1S/C7H10OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4,6,8H,5H2,1H3
InChIKeyWVCXPTDIBFGDSM-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.22
Rot. Bonds3

About 1-thiophen-2-ylsulfanylpropan-2-ol

1-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 60878038) has the molecular formula C7H10OS2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID60878038
Molecular FormulaC7H10OS2
Molecular Weight174.29 g/mol
Exact Mass174.02
IUPAC Name1-thiophen-2-ylsulfanylpropan-2-ol
SMILESCC(O)CSc1cccs1
InChIInChI=1S/C7H10OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4,6,8H,5H2,1H3
InChIKeyWVCXPTDIBFGDSM-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-ol (CID 60878038) is 1-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-thiophen-2-ylsulfanylpropan-2-ol is CC(O)CSc1cccs1.
What is the InChIKey of 1-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is WVCXPTDIBFGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4,6,8H,5H2,1H3.
What are the key properties of 1-thiophen-2-ylsulfanylpropan-2-ol?
1-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 60878038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).