1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea

C11H12N2OS2 — CID 10848438

IUPAC1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea
SMILESCC(c1cc2ccccc2s1)N(O)C(N)=S
InChIInChI=1S/C11H12N2OS2/c1-7(13(14)11(12)15)10-6-8-4-2-3-5-9(8)16-10/h2-7,14H,1H3,(H2,12,15)
InChIKeyBUSAZYSMMVJRAU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.90
Rot. Bonds2

About 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea

1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea (PubChem CID 10848438) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea
PubChem CID10848438
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea
SMILESCC(c1cc2ccccc2s1)N(O)C(N)=S
InChIInChI=1S/C11H12N2OS2/c1-7(13(14)11(12)15)10-6-8-4-2-3-5-9(8)16-10/h2-7,14H,1H3,(H2,12,15)
InChIKeyBUSAZYSMMVJRAU-UHFFFAOYSA-N
XLogP2.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea (CID 10848438) is 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea is CC(c1cc2ccccc2s1)N(O)C(N)=S.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea?
The InChIKey is BUSAZYSMMVJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7(13(14)11(12)15)10-6-8-4-2-3-5-9(8)16-10/h2-7,14H,1H3,(H2,12,15).
What are the key properties of 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea?
1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea has a molecular weight of 252.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxythiourea is sourced from PubChem (CID 10848438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).