1-(3-isocyanothiophen-2-yl)ethanol

C7H7NOS — CID 171468958

IUPAC1-(3-isocyanothiophen-2-yl)ethanol
SMILES[C-]#[N+]c1ccsc1C(C)O
InChIInChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-5,9H,1H3
InChIKeyWYFVJOVNEYOUJT-UHFFFAOYSA-N
MW153.21 g/mol
LogP2.35
Rot. Bonds1

About 1-(3-isocyanothiophen-2-yl)ethanol

1-(3-isocyanothiophen-2-yl)ethanol (PubChem CID 171468958) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-(3-isocyanothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-isocyanothiophen-2-yl)ethanol
PubChem CID171468958
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name1-(3-isocyanothiophen-2-yl)ethanol
SMILES[C-]#[N+]c1ccsc1C(C)O
InChIInChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-5,9H,1H3
InChIKeyWYFVJOVNEYOUJT-UHFFFAOYSA-N
XLogP2.35
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-isocyanothiophen-2-yl)ethanol?
The IUPAC name of 1-(3-isocyanothiophen-2-yl)ethanol (CID 171468958) is 1-(3-isocyanothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-isocyanothiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-isocyanothiophen-2-yl)ethanol is [C-]#[N+]c1ccsc1C(C)O.
What is the InChIKey of 1-(3-isocyanothiophen-2-yl)ethanol?
The InChIKey is WYFVJOVNEYOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-5,9H,1H3.
What are the key properties of 1-(3-isocyanothiophen-2-yl)ethanol?
1-(3-isocyanothiophen-2-yl)ethanol has a molecular weight of 153.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isocyanothiophen-2-yl)ethanol is sourced from PubChem (CID 171468958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).