1-benzothiophen-2-ylurea

C9H8N2OS — CID 22745149

IUPAC1-benzothiophen-2-ylurea
SMILESNC(=O)Nc1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-9(12)11-8-5-6-3-1-2-4-7(6)13-8/h1-5H,(H3,10,11,12)
InChIKeyWQZWXEOFELYFLG-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.39
Rot. Bonds1

About 1-benzothiophen-2-ylurea

1-benzothiophen-2-ylurea (PubChem CID 22745149) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-benzothiophen-2-ylurea.

Molecular Properties

Compound Name1-benzothiophen-2-ylurea
PubChem CID22745149
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-benzothiophen-2-ylurea
SMILESNC(=O)Nc1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-9(12)11-8-5-6-3-1-2-4-7(6)13-8/h1-5H,(H3,10,11,12)
InChIKeyWQZWXEOFELYFLG-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylurea?
The IUPAC name of 1-benzothiophen-2-ylurea (CID 22745149) is 1-benzothiophen-2-ylurea.
What is the SMILES notation for 1-benzothiophen-2-ylurea?
The canonical SMILES for 1-benzothiophen-2-ylurea is NC(=O)Nc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylurea?
The InChIKey is WQZWXEOFELYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9(12)11-8-5-6-3-1-2-4-7(6)13-8/h1-5H,(H3,10,11,12).
What are the key properties of 1-benzothiophen-2-ylurea?
1-benzothiophen-2-ylurea has a molecular weight of 192.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylurea is sourced from PubChem (CID 22745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).