2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol

C8H12OS2 — CID 117246313

IUPAC2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
SMILESOCC(CS)Cc1cccs1
InChIInChI=1S/C8H12OS2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,9-10H,4-6H2
InChIKeyYMTGFVYKHFNQTH-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.83
Rot. Bonds4

About 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol

2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 117246313) has the molecular formula C8H12OS2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID117246313
Molecular FormulaC8H12OS2
Molecular Weight188.32 g/mol
Exact Mass188.03
IUPAC Name2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
SMILESOCC(CS)Cc1cccs1
InChIInChI=1S/C8H12OS2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,9-10H,4-6H2
InChIKeyYMTGFVYKHFNQTH-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
CID 117246264
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
3-sulfanyl-2-thiophen-2-ylpropan-1-ol
CID 117240751
(2S)-4,4,4-trifluoro-2-(thiophen-2-ylmethyl)butan-1-amine
CID 129494621
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042

Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol (CID 117246313) is 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol is OCC(CS)Cc1cccs1.
What is the InChIKey of 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is YMTGFVYKHFNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,9-10H,4-6H2.
What are the key properties of 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol?
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 188.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 117246313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).