thiophen-2-ylcarbamic acid

C5H5NO2S — CID 19432670

IUPACthiophen-2-ylcarbamic acid
SMILESO=C(O)Nc1cccs1
InChIInChI=1S/C5H5NO2S/c7-5(8)6-4-2-1-3-9-4/h1-3,6H,(H,7,8)
InChIKeyVNMLVHLVBFHHSN-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.84
Rot. Bonds1

About thiophen-2-ylcarbamic acid

thiophen-2-ylcarbamic acid (PubChem CID 19432670) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is thiophen-2-ylcarbamic acid.

Molecular Properties

Compound Namethiophen-2-ylcarbamic acid
PubChem CID19432670
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Namethiophen-2-ylcarbamic acid
SMILESO=C(O)Nc1cccs1
InChIInChI=1S/C5H5NO2S/c7-5(8)6-4-2-1-3-9-4/h1-3,6H,(H,7,8)
InChIKeyVNMLVHLVBFHHSN-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylcarbamic acid?
The IUPAC name of thiophen-2-ylcarbamic acid (CID 19432670) is thiophen-2-ylcarbamic acid.
What is the SMILES notation for thiophen-2-ylcarbamic acid?
The canonical SMILES for thiophen-2-ylcarbamic acid is O=C(O)Nc1cccs1.
What is the InChIKey of thiophen-2-ylcarbamic acid?
The InChIKey is VNMLVHLVBFHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5(8)6-4-2-1-3-9-4/h1-3,6H,(H,7,8).
What are the key properties of thiophen-2-ylcarbamic acid?
thiophen-2-ylcarbamic acid has a molecular weight of 143.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylcarbamic acid is sourced from PubChem (CID 19432670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).